BindingDB Reactant_set_id Ligand SMILES Ligand InChI Ligand InChI Key BindingDB MonomerID BindingDB Ligand Name Target Name Target Source Organism According to Curator or DataSource Ki (nM) IC50 (nM) Kd (nM) EC50 (nM) kon (M-1-s-1) koff (s-1) pH Temp (C) Curation/DataSource Article DOI BindingDB Entry DOI PMID PubChem AID Patent Number Authors Date of publication Date in BindingDB Institution Link to Ligand in BindingDB Link to Target in BindingDB Link to Ligand-Target Pair in BindingDB Ligand HET ID in PDB PDB ID(s) for Ligand-Target Complex PubChem CID PubChem SID ChEBI ID of Ligand ChEMBL ID of Ligand DrugBank ID of Ligand IUPHAR_GRAC ID of Ligand KEGG ID of Ligand ZINC ID of Ligand Number of Protein Chains in Target (>1 implies a multichain complex) BindingDB Target Chain Sequence 1 PDB ID(s) of Target Chain 1 UniProt (SwissProt) Recommended Name of Target Chain 1 UniProt (SwissProt) Entry Name of Target Chain 1 UniProt (SwissProt) Primary ID of Target Chain 1 UniProt (SwissProt) Secondary ID(s) of Target Chain 1 UniProt (SwissProt) Alternative ID(s) of Target Chain 1 UniProt (TrEMBL) Submitted Name of Target Chain 1 UniProt (TrEMBL) Entry Name of Target Chain 1 UniProt (TrEMBL) Primary ID of Target Chain 1 UniProt (TrEMBL) Secondary ID(s) of Target Chain 1 UniProt (TrEMBL) Alternative ID(s) of Target Chain 1 BindingDB Target Chain Sequence 2 PDB ID(s) of Target Chain 2 UniProt (SwissProt) Recommended Name of Target Chain 2 UniProt (SwissProt) Entry Name of Target Chain 2 UniProt (SwissProt) Primary ID of Target Chain 2 UniProt (SwissProt) Secondary ID(s) of Target Chain 2 UniProt (SwissProt) Alternative ID(s) of Target Chain 2 UniProt (TrEMBL) Submitted Name of Target Chain 2 UniProt (TrEMBL) Entry Name of Target Chain 2 UniProt (TrEMBL) Primary ID of Target Chain 2 UniProt (TrEMBL) Secondary ID(s) of Target Chain 2 UniProt (TrEMBL) Alternative ID(s) of Target Chain 2 BindingDB Target Chain Sequence 3 PDB ID(s) of Target Chain 3 UniProt (SwissProt) Recommended Name of Target Chain 3 UniProt (SwissProt) Entry Name of Target Chain 3 UniProt (SwissProt) Primary ID of Target Chain 3 UniProt (SwissProt) Secondary ID(s) of Target Chain 3 UniProt (SwissProt) Alternative ID(s) of Target Chain 3 UniProt (TrEMBL) Submitted Name of Target Chain 3 UniProt (TrEMBL) Entry Name of Target Chain 3 UniProt (TrEMBL) Primary ID of Target Chain 3 UniProt (TrEMBL) Secondary ID(s) of Target Chain 3 UniProt (TrEMBL) Alternative ID(s) of Target Chain 3 BindingDB Target Chain Sequence 4 PDB ID(s) of Target Chain 4 UniProt (SwissProt) Recommended Name of Target Chain 4 UniProt (SwissProt) Entry Name of Target Chain 4 UniProt (SwissProt) Primary ID of Target Chain 4 UniProt (SwissProt) Secondary ID(s) of Target Chain 4 UniProt (SwissProt) Alternative ID(s) of Target Chain 4 UniProt (TrEMBL) Submitted Name of Target Chain 4 UniProt (TrEMBL) Entry Name of Target Chain 4 UniProt (TrEMBL) Primary ID of Target Chain 4 UniProt (TrEMBL) Secondary ID(s) of Target Chain 4 UniProt (TrEMBL) Alternative ID(s) of Target Chain 4 BindingDB Target Chain Sequence 5 PDB ID(s) of Target Chain 5 UniProt (SwissProt) Recommended Name of Target Chain 5 UniProt (SwissProt) Entry Name of Target Chain 5 UniProt (SwissProt) Primary ID of Target Chain 5 UniProt (SwissProt) Secondary ID(s) of Target Chain 5 UniProt (SwissProt) Alternative ID(s) of Target Chain 5 UniProt (TrEMBL) Submitted Name of Target Chain 5 UniProt (TrEMBL) Entry Name of Target Chain 5 UniProt (TrEMBL) Primary ID of Target Chain 5 UniProt (TrEMBL) Secondary ID(s) of Target Chain 5 UniProt (TrEMBL) Alternative ID(s) of Target Chain 5 BindingDB Target Chain Sequence 6 PDB ID(s) of Target Chain 6 UniProt (SwissProt) Recommended Name of Target Chain 6 UniProt (SwissProt) Entry Name of Target Chain 6 UniProt (SwissProt) Primary ID of Target Chain 6 UniProt (SwissProt) Secondary ID(s) of Target Chain 6 UniProt (SwissProt) Alternative ID(s) of Target Chain 6 UniProt (TrEMBL) Submitted Name of Target Chain 6 UniProt (TrEMBL) Entry Name of Target Chain 6 UniProt (TrEMBL) Primary ID of Target Chain 6 UniProt (TrEMBL) Secondary ID(s) of Target Chain 6 UniProt (TrEMBL) Alternative ID(s) of Target Chain 6 BindingDB Target Chain Sequence 7 PDB ID(s) of Target Chain 7 UniProt (SwissProt) Recommended Name of Target Chain 7 UniProt (SwissProt) Entry Name of Target Chain 7 UniProt (SwissProt) Primary ID of Target Chain 7 UniProt (SwissProt) Secondary ID(s) of Target Chain 7 UniProt (SwissProt) Alternative ID(s) of Target Chain 7 UniProt (TrEMBL) Submitted Name of Target Chain 7 UniProt (TrEMBL) Entry Name of Target Chain 7 UniProt (TrEMBL) Primary ID of Target Chain 7 UniProt (TrEMBL) Secondary ID(s) of Target Chain 7 UniProt (TrEMBL) Alternative ID(s) of Target Chain 7 BindingDB Target Chain Sequence 8 PDB ID(s) of Target Chain 8 UniProt (SwissProt) Recommended Name of Target Chain 8 UniProt (SwissProt) Entry Name of Target Chain 8 UniProt (SwissProt) Primary ID of Target Chain 8 UniProt (SwissProt) Secondary ID(s) of Target Chain 8 UniProt (SwissProt) Alternative ID(s) of Target Chain 8 UniProt (TrEMBL) Submitted Name of Target Chain 8 UniProt (TrEMBL) Entry Name of Target Chain 8 UniProt (TrEMBL) Primary ID of Target Chain 8 UniProt (TrEMBL) Secondary ID(s) of Target Chain 8 UniProt (TrEMBL) Alternative ID(s) of Target Chain 8 BindingDB Target Chain Sequence 9 PDB ID(s) of Target Chain 9 UniProt (SwissProt) Recommended Name of Target Chain 9 UniProt (SwissProt) Entry Name of Target Chain 9 UniProt (SwissProt) Primary ID of Target Chain 9 UniProt (SwissProt) Secondary ID(s) of Target Chain 9 UniProt (SwissProt) Alternative ID(s) of Target Chain 9 UniProt (TrEMBL) Submitted Name of Target Chain 9 UniProt (TrEMBL) Entry Name of Target Chain 9 UniProt (TrEMBL) Primary ID of Target Chain 9 UniProt (TrEMBL) Secondary ID(s) of Target Chain 9 UniProt (TrEMBL) Alternative ID(s) of Target Chain 9 BindingDB Target Chain Sequence 10 PDB ID(s) of Target Chain 10 UniProt (SwissProt) Recommended Name of Target Chain 10 UniProt (SwissProt) Entry Name of Target Chain 10 UniProt (SwissProt) Primary ID of Target Chain 10 UniProt (SwissProt) Secondary ID(s) of Target Chain 10 UniProt (SwissProt) Alternative ID(s) of Target Chain 10 UniProt (TrEMBL) Submitted Name of Target Chain 10 UniProt (TrEMBL) Entry Name of Target Chain 10 UniProt (TrEMBL) Primary ID of Target Chain 10 UniProt (TrEMBL) Secondary ID(s) of Target Chain 10 UniProt (TrEMBL) Alternative ID(s) of Target Chain 10 BindingDB Target Chain Sequence 11 PDB ID(s) of Target Chain 11 UniProt (SwissProt) Recommended Name of Target Chain 11 UniProt (SwissProt) Entry Name of Target Chain 11 UniProt (SwissProt) Primary ID of Target Chain 11 UniProt (SwissProt) Secondary ID(s) of Target Chain 11 UniProt (SwissProt) Alternative ID(s) of Target Chain 11 UniProt (TrEMBL) Submitted Name of Target Chain 11 UniProt (TrEMBL) Entry Name of Target Chain 11 UniProt (TrEMBL) Primary ID of Target Chain 11 UniProt (TrEMBL) Secondary ID(s) of Target Chain 11 UniProt (TrEMBL) Alternative ID(s) of Target Chain 11 BindingDB Target Chain Sequence 12 PDB ID(s) of Target Chain 12 UniProt (SwissProt) Recommended Name of Target Chain 12 UniProt (SwissProt) Entry Name of Target Chain 12 UniProt (SwissProt) Primary ID of Target Chain 12 UniProt (SwissProt) Secondary ID(s) of Target Chain 12 UniProt (SwissProt) Alternative ID(s) of Target Chain 12 UniProt (TrEMBL) Submitted Name of Target Chain 12 UniProt (TrEMBL) Entry Name of Target Chain 12 UniProt (TrEMBL) Primary ID of Target Chain 12 UniProt (TrEMBL) Secondary ID(s) of Target Chain 12 UniProt (TrEMBL) Alternative ID(s) of Target Chain 12 BindingDB Target Chain Sequence 13 PDB ID(s) of Target Chain 13 UniProt (SwissProt) Recommended Name of Target Chain 13 UniProt (SwissProt) Entry Name of Target Chain 13 UniProt (SwissProt) Primary ID of Target Chain 13 UniProt (SwissProt) Secondary ID(s) of Target Chain 13 UniProt (SwissProt) Alternative ID(s) of Target Chain 13 UniProt (TrEMBL) Submitted Name of Target Chain 13 UniProt (TrEMBL) Entry Name of Target Chain 13 UniProt (TrEMBL) Primary ID of Target Chain 13 UniProt (TrEMBL) Secondary ID(s) of Target Chain 13 UniProt (TrEMBL) Alternative ID(s) of Target Chain 13 BindingDB Target Chain Sequence 14 PDB ID(s) of Target Chain 14 UniProt (SwissProt) Recommended Name of Target Chain 14 UniProt (SwissProt) Entry Name of Target Chain 14 UniProt (SwissProt) Primary ID of Target Chain 14 UniProt (SwissProt) Secondary ID(s) of Target Chain 14 UniProt (SwissProt) Alternative ID(s) of Target Chain 14 UniProt (TrEMBL) Submitted Name of Target Chain 14 UniProt (TrEMBL) Entry Name of Target Chain 14 UniProt (TrEMBL) Primary ID of Target Chain 14 UniProt (TrEMBL) Secondary ID(s) of Target Chain 14 UniProt (TrEMBL) Alternative ID(s) of Target Chain 14 BindingDB Target Chain Sequence 15 PDB ID(s) of Target Chain 15 UniProt (SwissProt) Recommended Name of Target Chain 15 UniProt (SwissProt) Entry Name of Target Chain 15 UniProt (SwissProt) Primary ID of Target Chain 15 UniProt (SwissProt) Secondary ID(s) of Target Chain 15 UniProt (SwissProt) Alternative ID(s) of Target Chain 15 UniProt (TrEMBL) Submitted Name of Target Chain 15 UniProt (TrEMBL) Entry Name of Target Chain 15 UniProt (TrEMBL) Primary ID of Target Chain 15 UniProt (TrEMBL) Secondary ID(s) of Target Chain 15 UniProt (TrEMBL) Alternative ID(s) of Target Chain 15 BindingDB Target Chain Sequence 16 PDB ID(s) of Target Chain 16 UniProt (SwissProt) Recommended Name of Target Chain 16 UniProt (SwissProt) Entry Name of Target Chain 16 UniProt (SwissProt) Primary ID of Target Chain 16 UniProt (SwissProt) Secondary ID(s) of Target Chain 16 UniProt (SwissProt) Alternative ID(s) of Target Chain 16 UniProt (TrEMBL) Submitted Name of Target Chain 16 UniProt (TrEMBL) Entry Name of Target Chain 16 UniProt (TrEMBL) Primary ID of Target Chain 16 UniProt (TrEMBL) Secondary ID(s) of Target Chain 16 UniProt (TrEMBL) Alternative ID(s) of Target Chain 16 BindingDB Target Chain Sequence 17 PDB ID(s) of Target Chain 17 UniProt (SwissProt) Recommended Name of Target Chain 17 UniProt (SwissProt) Entry Name of Target Chain 17 UniProt (SwissProt) Primary ID of Target Chain 17 UniProt (SwissProt) Secondary ID(s) of Target Chain 17 UniProt (SwissProt) Alternative ID(s) of Target Chain 17 UniProt (TrEMBL) Submitted Name of Target Chain 17 UniProt (TrEMBL) Entry Name of Target Chain 17 UniProt (TrEMBL) Primary ID of Target Chain 17 UniProt (TrEMBL) Secondary ID(s) of Target Chain 17 UniProt (TrEMBL) Alternative ID(s) of Target Chain 17 BindingDB Target Chain Sequence 18 PDB ID(s) of Target Chain 18 UniProt (SwissProt) Recommended Name of Target Chain 18 UniProt (SwissProt) Entry Name of Target Chain 18 UniProt (SwissProt) Primary ID of Target Chain 18 UniProt (SwissProt) Secondary ID(s) of Target Chain 18 UniProt (SwissProt) Alternative ID(s) of Target Chain 18 UniProt (TrEMBL) Submitted Name of Target Chain 18 UniProt (TrEMBL) Entry Name of Target Chain 18 UniProt (TrEMBL) Primary ID of Target Chain 18 UniProt (TrEMBL) Secondary ID(s) of Target Chain 18 UniProt (TrEMBL) Alternative ID(s) of Target Chain 18 BindingDB Target Chain Sequence 19 PDB ID(s) of Target Chain 19 UniProt (SwissProt) Recommended Name of Target Chain 19 UniProt (SwissProt) Entry Name of Target Chain 19 UniProt (SwissProt) Primary ID of Target Chain 19 UniProt (SwissProt) Secondary ID(s) of Target Chain 19 UniProt (SwissProt) Alternative ID(s) of Target Chain 19 UniProt (TrEMBL) Submitted Name of Target Chain 19 UniProt (TrEMBL) Entry Name of Target Chain 19 UniProt (TrEMBL) Primary ID of Target Chain 19 UniProt (TrEMBL) Secondary ID(s) of Target Chain 19 UniProt (TrEMBL) Alternative ID(s) of Target Chain 19 BindingDB Target Chain Sequence 20 PDB ID(s) of Target Chain 20 UniProt (SwissProt) Recommended Name of Target Chain 20 UniProt (SwissProt) Entry Name of Target Chain 20 UniProt (SwissProt) Primary ID of Target Chain 20 UniProt (SwissProt) Secondary ID(s) of Target Chain 20 UniProt (SwissProt) Alternative ID(s) of Target Chain 20 UniProt (TrEMBL) Submitted Name of Target Chain 20 UniProt (TrEMBL) Entry Name of Target Chain 20 UniProt (TrEMBL) Primary ID of Target Chain 20 UniProt (TrEMBL) Secondary ID(s) of Target Chain 20 UniProt (TrEMBL) Alternative ID(s) of Target Chain 20 BindingDB Target Chain Sequence 21 PDB ID(s) of Target Chain 21 UniProt (SwissProt) Recommended Name of Target Chain 21 UniProt (SwissProt) Entry Name of Target Chain 21 UniProt (SwissProt) Primary ID of Target Chain 21 UniProt (SwissProt) Secondary ID(s) of Target Chain 21 UniProt (SwissProt) Alternative ID(s) of Target Chain 21 UniProt (TrEMBL) Submitted Name of Target Chain 21 UniProt (TrEMBL) Entry Name of Target Chain 21 UniProt (TrEMBL) Primary ID of Target Chain 21 UniProt (TrEMBL) Secondary ID(s) of Target Chain 21 UniProt (TrEMBL) Alternative ID(s) of Target Chain 21 BindingDB Target Chain Sequence 22 PDB ID(s) of Target Chain 22 UniProt (SwissProt) Recommended Name of Target Chain 22 UniProt (SwissProt) Entry Name of Target Chain 22 UniProt (SwissProt) Primary ID of Target Chain 22 UniProt (SwissProt) Secondary ID(s) of Target Chain 22 UniProt (SwissProt) Alternative ID(s) of Target Chain 22 UniProt (TrEMBL) Submitted Name of Target Chain 22 UniProt (TrEMBL) Entry Name of Target Chain 22 UniProt (TrEMBL) Primary ID of Target Chain 22 UniProt (TrEMBL) Secondary ID(s) of Target Chain 22 UniProt (TrEMBL) Alternative ID(s) of Target Chain 22 BindingDB Target Chain Sequence 23 PDB ID(s) of Target Chain 23 UniProt (SwissProt) Recommended Name of Target Chain 23 UniProt (SwissProt) Entry Name of Target Chain 23 UniProt (SwissProt) Primary ID of Target Chain 23 UniProt (SwissProt) Secondary ID(s) of Target Chain 23 UniProt (SwissProt) Alternative ID(s) of Target Chain 23 UniProt (TrEMBL) Submitted Name of Target Chain 23 UniProt (TrEMBL) Entry Name of Target Chain 23 UniProt (TrEMBL) Primary ID of Target Chain 23 UniProt (TrEMBL) Secondary ID(s) of Target Chain 23 UniProt (TrEMBL) Alternative ID(s) of Target Chain 23 BindingDB Target Chain Sequence 24 PDB ID(s) of Target Chain 24 UniProt (SwissProt) Recommended Name of Target Chain 24 UniProt (SwissProt) Entry Name of Target Chain 24 UniProt (SwissProt) Primary ID of Target Chain 24 UniProt (SwissProt) Secondary ID(s) of Target Chain 24 UniProt (SwissProt) Alternative ID(s) of Target Chain 24 UniProt (TrEMBL) Submitted Name of Target Chain 24 UniProt (TrEMBL) Entry Name of Target Chain 24 UniProt (TrEMBL) Primary ID of Target Chain 24 UniProt (TrEMBL) Secondary ID(s) of Target Chain 24 UniProt (TrEMBL) Alternative ID(s) of Target Chain 24 BindingDB Target Chain Sequence 25 PDB ID(s) of Target Chain 25 UniProt (SwissProt) Recommended Name of Target Chain 25 UniProt (SwissProt) Entry Name of Target Chain 25 UniProt (SwissProt) Primary ID of Target Chain 25 UniProt (SwissProt) Secondary ID(s) of Target Chain 25 UniProt (SwissProt) Alternative ID(s) of Target Chain 25 UniProt (TrEMBL) Submitted Name of Target Chain 25 UniProt (TrEMBL) Entry Name of Target Chain 25 UniProt (TrEMBL) Primary ID of Target Chain 25 UniProt (TrEMBL) Secondary ID(s) of Target Chain 25 UniProt (TrEMBL) Alternative ID(s) of Target Chain 25 BindingDB Target Chain Sequence 26 PDB ID(s) of Target Chain 26 UniProt (SwissProt) Recommended Name of Target Chain 26 UniProt (SwissProt) Entry Name of Target Chain 26 UniProt (SwissProt) Primary ID of Target Chain 26 UniProt (SwissProt) Secondary ID(s) of Target Chain 26 UniProt (SwissProt) Alternative ID(s) of Target Chain 26 UniProt (TrEMBL) Submitted Name of Target Chain 26 UniProt (TrEMBL) Entry Name of Target Chain 26 UniProt (TrEMBL) Primary ID of Target Chain 26 UniProt (TrEMBL) Secondary ID(s) of Target Chain 26 UniProt (TrEMBL) Alternative ID(s) of Target Chain 26 BindingDB Target Chain Sequence 27 PDB ID(s) of Target Chain 27 UniProt (SwissProt) Recommended Name of Target Chain 27 UniProt (SwissProt) Entry Name of Target Chain 27 UniProt (SwissProt) Primary ID of Target Chain 27 UniProt (SwissProt) Secondary ID(s) of Target Chain 27 UniProt (SwissProt) Alternative ID(s) of Target Chain 27 UniProt (TrEMBL) Submitted Name of Target Chain 27 UniProt (TrEMBL) Entry Name of Target Chain 27 UniProt (TrEMBL) Primary ID of Target Chain 27 UniProt (TrEMBL) Secondary ID(s) of Target Chain 27 UniProt (TrEMBL) Alternative ID(s) of Target Chain 27 BindingDB Target Chain Sequence 28 PDB ID(s) of Target Chain 28 UniProt (SwissProt) Recommended Name of Target Chain 28 UniProt (SwissProt) Entry Name of Target Chain 28 UniProt (SwissProt) Primary ID of Target Chain 28 UniProt (SwissProt) Secondary ID(s) of Target Chain 28 UniProt (SwissProt) Alternative ID(s) of Target Chain 28 UniProt (TrEMBL) Submitted Name of Target Chain 28 UniProt (TrEMBL) Entry Name of Target Chain 28 UniProt (TrEMBL) Primary ID of Target Chain 28 UniProt (TrEMBL) Secondary ID(s) of Target Chain 28 UniProt (TrEMBL) Alternative ID(s) of Target Chain 28 BindingDB Target Chain Sequence 29 PDB ID(s) of Target Chain 29 UniProt (SwissProt) Recommended Name of Target Chain 29 UniProt (SwissProt) Entry Name of Target Chain 29 UniProt (SwissProt) Primary ID of Target Chain 29 UniProt (SwissProt) Secondary ID(s) of Target Chain 29 UniProt (SwissProt) Alternative ID(s) of Target Chain 29 UniProt (TrEMBL) Submitted Name of Target Chain 29 UniProt (TrEMBL) Entry Name of Target Chain 29 UniProt (TrEMBL) Primary ID of Target Chain 29 UniProt (TrEMBL) Secondary ID(s) of Target Chain 29 UniProt (TrEMBL) Alternative ID(s) of Target Chain 29 BindingDB Target Chain Sequence 30 PDB ID(s) of Target Chain 30 UniProt (SwissProt) Recommended Name of Target Chain 30 UniProt (SwissProt) Entry Name of Target Chain 30 UniProt (SwissProt) Primary ID of Target Chain 30 UniProt (SwissProt) Secondary ID(s) of Target Chain 30 UniProt (SwissProt) Alternative ID(s) of Target Chain 30 UniProt (TrEMBL) Submitted Name of Target Chain 30 UniProt (TrEMBL) Entry Name of Target Chain 30 UniProt (TrEMBL) Primary ID of Target Chain 30 UniProt (TrEMBL) Secondary ID(s) of Target Chain 30 UniProt (TrEMBL) Alternative ID(s) of Target Chain 30 BindingDB Target Chain Sequence 31 PDB ID(s) of Target Chain 31 UniProt (SwissProt) Recommended Name of Target Chain 31 UniProt (SwissProt) Entry Name of Target Chain 31 UniProt (SwissProt) Primary ID of Target Chain 31 UniProt (SwissProt) Secondary ID(s) of Target Chain 31 UniProt (SwissProt) Alternative ID(s) of Target Chain 31 UniProt (TrEMBL) Submitted Name of Target Chain 31 UniProt (TrEMBL) Entry Name of Target Chain 31 UniProt (TrEMBL) Primary ID of Target Chain 31 UniProt (TrEMBL) Secondary ID(s) of Target Chain 31 UniProt (TrEMBL) Alternative ID(s) of Target Chain 31 BindingDB Target Chain Sequence 32 PDB ID(s) of Target Chain 32 UniProt (SwissProt) Recommended Name of Target Chain 32 UniProt (SwissProt) Entry Name of Target Chain 32 UniProt (SwissProt) Primary ID of Target Chain 32 UniProt (SwissProt) Secondary ID(s) of Target Chain 32 UniProt (SwissProt) Alternative ID(s) of Target Chain 32 UniProt (TrEMBL) Submitted Name of Target Chain 32 UniProt (TrEMBL) Entry Name of Target Chain 32 UniProt (TrEMBL) Primary ID of Target Chain 32 UniProt (TrEMBL) Secondary ID(s) of Target Chain 32 UniProt (TrEMBL) Alternative ID(s) of Target Chain 32 BindingDB Target Chain Sequence 33 PDB ID(s) of Target Chain 33 UniProt (SwissProt) Recommended Name of Target Chain 33 UniProt (SwissProt) Entry Name of Target Chain 33 UniProt (SwissProt) Primary ID of Target Chain 33 UniProt (SwissProt) Secondary ID(s) of Target Chain 33 UniProt (SwissProt) Alternative ID(s) of Target Chain 33 UniProt (TrEMBL) Submitted Name of Target Chain 33 UniProt (TrEMBL) Entry Name of Target Chain 33 UniProt (TrEMBL) Primary ID of Target Chain 33 UniProt (TrEMBL) Secondary ID(s) of Target Chain 33 UniProt (TrEMBL) Alternative ID(s) of Target Chain 33 BindingDB Target Chain Sequence 34 PDB ID(s) of Target Chain 34 UniProt (SwissProt) Recommended Name of Target Chain 34 UniProt (SwissProt) Entry Name of Target Chain 34 UniProt (SwissProt) Primary ID of Target Chain 34 UniProt (SwissProt) Secondary ID(s) of Target Chain 34 UniProt (SwissProt) Alternative ID(s) of Target Chain 34 UniProt (TrEMBL) Submitted Name of Target Chain 34 UniProt (TrEMBL) Entry Name of Target Chain 34 UniProt (TrEMBL) Primary ID of Target Chain 34 UniProt (TrEMBL) Secondary ID(s) of Target Chain 34 UniProt (TrEMBL) Alternative ID(s) of Target Chain 34 BindingDB Target Chain Sequence 35 PDB ID(s) of Target Chain 35 UniProt (SwissProt) Recommended Name of Target Chain 35 UniProt (SwissProt) Entry Name of Target Chain 35 UniProt (SwissProt) Primary ID of Target Chain 35 UniProt (SwissProt) Secondary ID(s) of Target Chain 35 UniProt (SwissProt) Alternative ID(s) of Target Chain 35 UniProt (TrEMBL) Submitted Name of Target Chain 35 UniProt (TrEMBL) Entry Name of Target Chain 35 UniProt (TrEMBL) Primary ID of Target Chain 35 UniProt (TrEMBL) Secondary ID(s) of Target Chain 35 UniProt (TrEMBL) Alternative ID(s) of Target Chain 35 BindingDB Target Chain Sequence 36 PDB ID(s) of Target Chain 36 UniProt (SwissProt) Recommended Name of Target Chain 36 UniProt (SwissProt) Entry Name of Target Chain 36 UniProt (SwissProt) Primary ID of Target Chain 36 UniProt (SwissProt) Secondary ID(s) of Target Chain 36 UniProt (SwissProt) Alternative ID(s) of Target Chain 36 UniProt (TrEMBL) Submitted Name of Target Chain 36 UniProt (TrEMBL) Entry Name of Target Chain 36 UniProt (TrEMBL) Primary ID of Target Chain 36 UniProt (TrEMBL) Secondary ID(s) of Target Chain 36 UniProt (TrEMBL) Alternative ID(s) of Target Chain 36 BindingDB Target Chain Sequence 37 PDB ID(s) of Target Chain 37 UniProt (SwissProt) Recommended Name of Target Chain 37 UniProt (SwissProt) Entry Name of Target Chain 37 UniProt (SwissProt) Primary ID of Target Chain 37 UniProt (SwissProt) Secondary ID(s) of Target Chain 37 UniProt (SwissProt) Alternative ID(s) of Target Chain 37 UniProt (TrEMBL) Submitted Name of Target Chain 37 UniProt (TrEMBL) Entry Name of Target Chain 37 UniProt (TrEMBL) Primary ID of Target Chain 37 UniProt (TrEMBL) Secondary ID(s) of Target Chain 37 UniProt (TrEMBL) Alternative ID(s) of Target Chain 37 BindingDB Target Chain Sequence 38 PDB ID(s) of Target Chain 38 UniProt (SwissProt) Recommended Name of Target Chain 38 UniProt (SwissProt) Entry Name of Target Chain 38 UniProt (SwissProt) Primary ID of Target Chain 38 UniProt (SwissProt) Secondary ID(s) of Target Chain 38 UniProt (SwissProt) Alternative ID(s) of Target Chain 38 UniProt (TrEMBL) Submitted Name of Target Chain 38 UniProt (TrEMBL) Entry Name of Target Chain 38 UniProt (TrEMBL) Primary ID of Target Chain 38 UniProt (TrEMBL) Secondary ID(s) of Target Chain 38 UniProt (TrEMBL) Alternative ID(s) of Target Chain 38 BindingDB Target Chain Sequence 39 PDB ID(s) of Target Chain 39 UniProt (SwissProt) Recommended Name of Target Chain 39 UniProt (SwissProt) Entry Name of Target Chain 39 UniProt (SwissProt) Primary ID of Target Chain 39 UniProt (SwissProt) Secondary ID(s) of Target Chain 39 UniProt (SwissProt) Alternative ID(s) of Target Chain 39 UniProt (TrEMBL) Submitted Name of Target Chain 39 UniProt (TrEMBL) Entry Name of Target Chain 39 UniProt (TrEMBL) Primary ID of Target Chain 39 UniProt (TrEMBL) Secondary ID(s) of Target Chain 39 UniProt (TrEMBL) Alternative ID(s) of Target Chain 39 BindingDB Target Chain Sequence 40 PDB ID(s) of Target Chain 40 UniProt (SwissProt) Recommended Name of Target Chain 40 UniProt (SwissProt) Entry Name of Target Chain 40 UniProt (SwissProt) Primary ID of Target Chain 40 UniProt (SwissProt) Secondary ID(s) of Target Chain 40 UniProt (SwissProt) Alternative ID(s) of Target Chain 40 UniProt (TrEMBL) Submitted Name of Target Chain 40 UniProt (TrEMBL) Entry Name of Target Chain 40 UniProt (TrEMBL) Primary ID of Target Chain 40 UniProt (TrEMBL) Secondary ID(s) of Target Chain 40 UniProt (TrEMBL) Alternative ID(s) of Target Chain 40 BindingDB Target Chain Sequence 41 PDB ID(s) of Target Chain 41 UniProt (SwissProt) Recommended Name of Target Chain 41 UniProt (SwissProt) Entry Name of Target Chain 41 UniProt (SwissProt) Primary ID of Target Chain 41 UniProt (SwissProt) Secondary ID(s) of Target Chain 41 UniProt (SwissProt) Alternative ID(s) of Target Chain 41 UniProt (TrEMBL) Submitted Name of Target Chain 41 UniProt (TrEMBL) Entry Name of Target Chain 41 UniProt (TrEMBL) Primary ID of Target Chain 41 UniProt (TrEMBL) Secondary ID(s) of Target Chain 41 UniProt (TrEMBL) Alternative ID(s) of Target Chain 41 BindingDB Target Chain Sequence 42 PDB ID(s) of Target Chain 42 UniProt (SwissProt) Recommended Name of Target Chain 42 UniProt (SwissProt) Entry Name of Target Chain 42 UniProt (SwissProt) Primary ID of Target Chain 42 UniProt (SwissProt) Secondary ID(s) of Target Chain 42 UniProt (SwissProt) Alternative ID(s) of Target Chain 42 UniProt (TrEMBL) Submitted Name of Target Chain 42 UniProt (TrEMBL) Entry Name of Target Chain 42 UniProt (TrEMBL) Primary ID of Target Chain 42 UniProt (TrEMBL) Secondary ID(s) of Target Chain 42 UniProt (TrEMBL) Alternative ID(s) of Target Chain 42 BindingDB Target Chain Sequence 43 PDB ID(s) of Target Chain 43 UniProt (SwissProt) Recommended Name of Target Chain 43 UniProt (SwissProt) Entry Name of Target Chain 43 UniProt (SwissProt) Primary ID of Target Chain 43 UniProt (SwissProt) Secondary ID(s) of Target Chain 43 UniProt (SwissProt) Alternative ID(s) of Target Chain 43 UniProt (TrEMBL) Submitted Name of Target Chain 43 UniProt (TrEMBL) Entry Name of Target Chain 43 UniProt (TrEMBL) Primary ID of Target Chain 43 UniProt (TrEMBL) Secondary ID(s) of Target Chain 43 UniProt (TrEMBL) Alternative ID(s) of Target Chain 43 BindingDB Target Chain Sequence 44 PDB ID(s) of Target Chain 44 UniProt (SwissProt) Recommended Name of Target Chain 44 UniProt (SwissProt) Entry Name of Target Chain 44 UniProt (SwissProt) Primary ID of Target Chain 44 UniProt (SwissProt) Secondary ID(s) of Target Chain 44 UniProt (SwissProt) Alternative ID(s) of Target Chain 44 UniProt (TrEMBL) Submitted Name of Target Chain 44 UniProt (TrEMBL) Entry Name of Target Chain 44 UniProt (TrEMBL) Primary ID of Target Chain 44 UniProt (TrEMBL) Secondary ID(s) of Target Chain 44 UniProt (TrEMBL) Alternative ID(s) of Target Chain 44 BindingDB Target Chain Sequence 45 PDB ID(s) of Target Chain 45 UniProt (SwissProt) Recommended Name of Target Chain 45 UniProt (SwissProt) Entry Name of Target Chain 45 UniProt (SwissProt) Primary ID of Target Chain 45 UniProt (SwissProt) Secondary ID(s) of Target Chain 45 UniProt (SwissProt) Alternative ID(s) of Target Chain 45 UniProt (TrEMBL) Submitted Name of Target Chain 45 UniProt (TrEMBL) Entry Name of Target Chain 45 UniProt (TrEMBL) Primary ID of Target Chain 45 UniProt (TrEMBL) Secondary ID(s) of Target Chain 45 UniProt (TrEMBL) Alternative ID(s) of Target Chain 45 BindingDB Target Chain Sequence 46 PDB ID(s) of Target Chain 46 UniProt (SwissProt) Recommended Name of Target Chain 46 UniProt (SwissProt) Entry Name of Target Chain 46 UniProt (SwissProt) Primary ID of Target Chain 46 UniProt (SwissProt) Secondary ID(s) of Target Chain 46 UniProt (SwissProt) Alternative ID(s) of Target Chain 46 UniProt (TrEMBL) Submitted Name of Target Chain 46 UniProt (TrEMBL) Entry Name of Target Chain 46 UniProt (TrEMBL) Primary ID of Target Chain 46 UniProt (TrEMBL) Secondary ID(s) of Target Chain 46 UniProt (TrEMBL) Alternative ID(s) of Target Chain 46 BindingDB Target Chain Sequence 47 PDB ID(s) of Target Chain 47 UniProt (SwissProt) Recommended Name of Target Chain 47 UniProt (SwissProt) Entry Name of Target Chain 47 UniProt (SwissProt) Primary ID of Target Chain 47 UniProt (SwissProt) Secondary ID(s) of Target Chain 47 UniProt (SwissProt) Alternative ID(s) of Target Chain 47 UniProt (TrEMBL) Submitted Name of Target Chain 47 UniProt (TrEMBL) Entry Name of Target Chain 47 UniProt (TrEMBL) Primary ID of Target Chain 47 UniProt (TrEMBL) Secondary ID(s) of Target Chain 47 UniProt (TrEMBL) Alternative ID(s) of Target Chain 47 BindingDB Target Chain Sequence 48 PDB ID(s) of Target Chain 48 UniProt (SwissProt) Recommended Name of Target Chain 48 UniProt (SwissProt) Entry Name of Target Chain 48 UniProt (SwissProt) Primary ID of Target Chain 48 UniProt (SwissProt) Secondary ID(s) of Target Chain 48 UniProt (SwissProt) Alternative ID(s) of Target Chain 48 UniProt (TrEMBL) Submitted Name of Target Chain 48 UniProt (TrEMBL) Entry Name of Target Chain 48 UniProt (TrEMBL) Primary ID of Target Chain 48 UniProt (TrEMBL) Secondary ID(s) of Target Chain 48 UniProt (TrEMBL) Alternative ID(s) of Target Chain 48 BindingDB Target Chain Sequence 49 PDB ID(s) of Target Chain 49 UniProt (SwissProt) Recommended Name of Target Chain 49 UniProt (SwissProt) Entry Name of Target Chain 49 UniProt (SwissProt) Primary ID of Target Chain 49 UniProt (SwissProt) Secondary ID(s) of Target Chain 49 UniProt (SwissProt) Alternative ID(s) of Target Chain 49 UniProt (TrEMBL) Submitted Name of Target Chain 49 UniProt (TrEMBL) Entry Name of Target Chain 49 UniProt (TrEMBL) Primary ID of Target Chain 49 UniProt (TrEMBL) Secondary ID(s) of Target Chain 49 UniProt (TrEMBL) Alternative ID(s) of Target Chain 49 BindingDB Target Chain Sequence 50 PDB ID(s) of Target Chain 50 UniProt (SwissProt) Recommended Name of Target Chain 50 UniProt (SwissProt) Entry Name of Target Chain 50 UniProt (SwissProt) Primary ID of Target Chain 50 UniProt (SwissProt) Secondary ID(s) of Target Chain 50 UniProt (SwissProt) Alternative ID(s) of Target Chain 50 UniProt (TrEMBL) Submitted Name of Target Chain 50 UniProt (TrEMBL) Entry Name of Target Chain 50 UniProt (TrEMBL) Primary ID of Target Chain 50 UniProt (TrEMBL) Secondary ID(s) of Target Chain 50 UniProt (TrEMBL) Alternative ID(s) of Target Chain 50 1575461 Clc1ccc2c(c1)nc1n2Cc2cccc3cccc-1c23 787209 US12473262, Compound 435 Cytochrome P450 1A2 Homo sapiens <20.0 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787209 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2146&target=Cytochrome+P450+1A2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787209&enzyme=Cytochrome+P450+1A2&column=ki&startPg=0&Increment=50&submit=Search 155598976 523969954 1 MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKNPHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDGQSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELMAGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFPILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGNLIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLSDRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPELWEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLEFSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN 2HI4 Cytochrome P450 1A2 CP1A2_HUMAN P05177 Q16754 Q6NWU3 Q6NWU5 Q9BXX7 Q9UK49 1575462 Clc1ccc2c(c1)nc1n2Cc2cccc3cccc-1c23 787209 US12473262, Compound 435 Cytochrome P450 2C9 Homo sapiens >50000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787209 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2128&target=Cytochrome+P450+2C9&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787209&enzyme=Cytochrome+P450+2C9&column=ki&startPg=0&Increment=50&submit=Search 155598976 523969954 1 MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV Cytochrome P450 2C9 CP2C9_HUMAN P11712 P11713 Q16756 Q16872 Q5VX92 Q6IRV8 Q8WW80 1575463 Clc1ccc2c(c1)nc1n2Cc2cccc3cccc-1c23 787209 US12473262, Compound 435 Cytochrome P450 2D6 Homo sapiens >50000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787209 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=356&target=Cytochrome+P450+2D6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787209&enzyme=Cytochrome+P450+2D6&column=ki&startPg=0&Increment=50&submit=Search 155598976 523969954 1 MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR 6CSD,6CSB Cytochrome P450 2D6 CP2D6_HUMAN P10635 Q16752 Q2XND6 Q2XND7 Q2XNE0 Q6B012 Q6NXU8 Cytochrome P450 C1ID52_HUMAN C1ID52 1575464 Clc1ccc2c(c1)nc1n2Cc2cccc3cccc-1c23 787209 US12473262, Compound 435 Cytochrome P450 2B6 Homo sapiens >50000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787209 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6685&target=Cytochrome+P450+2B6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787209&enzyme=Cytochrome+P450+2B6&column=ki&startPg=0&Increment=50&submit=Search 155598976 523969954 1 MELSVLLFLALLTGLLLLLVQRHPNTHDRLPPGPRPLPLLGNLLQMDRRGLLKSFLRFREKYGDVFTVHLGPRPVVMLCGVEAIREALVDKAEAFSGRGKIAMVDPFFRGYGVIFANGNRWKVLRRFSVTTMRDFGMGKRSVEERIQEEAQCLIEELRKSKGALMDPTFLFQSITANIICSIVFGKRFHYQDQEFLKMLNLFYQTFSLISSVFGQLFELFSGFLKYFPGAHRQVYKNLQEINAYIGHSVEKHRETLDPSAPKDLIDTYLLHMEKEKSNAHSEFSHQNLNLNTLSLFFAGTETTSTTLRYGFLLMLKYPHVAERVYREIEQVIGPHRPPELHDRAKMPYTEAVIYEIQRFSDLLPMGVPHIVTQHTSFRGYIIPKDTEVFLILSTALHDPHYFEKPDAFNPDHFLDANGALKKTEAFIPFSLGKRICLGEGIARAELFLFFTTILQNFSMASPVAPEDIDLTPQECGVGKIPPTYQIRFLPR Cytochrome P450 2B6 CP2B6_HUMAN P20813 B4DWP3 Q2V565 Q9UK46 1575465 Clc1ccc2c(c1)nc1n2Cc2cccc3cccc-1c23 787209 US12473262, Compound 435 Cytochrome P450 2C8 Homo sapiens 19200 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787209 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7129&target=Cytochrome+P450+2C8&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787209&enzyme=Cytochrome+P450+2C8&column=ki&startPg=0&Increment=50&submit=Search 155598976 523969954 1 MEPFVVLVLCLSFMLLFSLWRQSCRRRKLPPGPTPLPIIGNMLQIDVKDICKSFTNFSKVYGPVFTVYFGMNPIVVFHGYEAVKEALIDNGEEFSGRGNSPISQRITKGLGIISSNGKRWKEIRRFSLTTLRNFGMGKRSIEDRVQEEAHCLVEELRKTKASPCDPTFILGCAPCNVICSVVFQKRFDYKDQNFLTLMKRFNENFRILNSPWIQVCNNFPLLIDCFPGTHNKVLKNVALTRSYIREKVKEHQASLDVNNPRDFIDCFLIKMEQEKDNQKSEFNIENLVGTVADLFVAGTETTSTTLRYGLLLLLKHPEVTAKVQEEIDHVIGRHRSPCMQDRSHMPYTDAVVHEIQRYSDLVPTGVPHAVTTDTKFRNYLIPKGTTIMALLTSVLHDDKEFPNPNIFDPGHFLDKNGNFKKSDYFMPFSAGKRICAGEGLARMELFLFLTTILQNFNLKSVDDLKNLNTTAVTKGIVSLPPSYQICFIPV Cytochrome P450 2C8 CP2C8_HUMAN P10632 A8K9N8 B0AZN2 B7Z1F6 Q5VX93 Q8WWB1 Q9UCZ9 1575466 Clc1ccc2c(c1)nc1n2Cc2cccc3cccc-1c23 787209 US12473262, Compound 435 Cytochrome P450 2C19 Homo sapiens >50000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787209 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2148&target=Cytochrome+P450+2C19&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787209&enzyme=Cytochrome+P450+2C19&column=ki&startPg=0&Increment=50&submit=Search 155598976 523969954 1 MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKIYGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFMESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYIDLIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFKKSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVPPFYQLCFIPV Cytochrome P450 2C19 CP2CJ_HUMAN P33261 P33259 Q8WZB1 Q8WZB2 Q9UCD4 1575467 Clc1ccc2c(c1)nc1n2Cc2cccc3cccc-1c23 787209 US12473262, Compound 435 Cytochrome P450 3A4 Homo sapiens 5300 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787209 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2127&target=Cytochrome+P450+3A4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787209&enzyme=Cytochrome+P450+3A4&column=ki&startPg=0&Increment=50&submit=Search 155598976 523969954 1 MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVSGA 7LXL,3NXU,2V0M,2J0D,1W0G,1W0F,1W0E,9GK1,4NY4 Cytochrome P450 3A4 CP3A4_HUMAN P08684 P05184 Q16757 Q9UK50 Cytochrome P450 3A Q6GRK0_HUMAN Q6GRK0 1575468 O=C(c1ccccc1)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21 787210 US12473262, Compound 494 Cytochrome P450 1A2 Homo sapiens 700 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787210 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2146&target=Cytochrome+P450+1A2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787210&enzyme=Cytochrome+P450+1A2&column=ki&startPg=0&Increment=50&submit=Search 155598845 523969955 1 MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKNPHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDGQSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELMAGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFPILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGNLIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLSDRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPELWEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLEFSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN 2HI4 Cytochrome P450 1A2 CP1A2_HUMAN P05177 Q16754 Q6NWU3 Q6NWU5 Q9BXX7 Q9UK49 1575469 O=C(c1ccccc1)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21 787210 US12473262, Compound 494 Cytochrome P450 2C9 Homo sapiens 4200 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787210 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2128&target=Cytochrome+P450+2C9&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787210&enzyme=Cytochrome+P450+2C9&column=ki&startPg=0&Increment=50&submit=Search 155598845 523969955 1 MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV Cytochrome P450 2C9 CP2C9_HUMAN P11712 P11713 Q16756 Q16872 Q5VX92 Q6IRV8 Q8WW80 1575470 O=C(c1ccccc1)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21 787210 US12473262, Compound 494 Cytochrome P450 2D6 Homo sapiens >50000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787210 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=356&target=Cytochrome+P450+2D6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787210&enzyme=Cytochrome+P450+2D6&column=ki&startPg=0&Increment=50&submit=Search 155598845 523969955 1 MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR 6CSD,6CSB Cytochrome P450 2D6 CP2D6_HUMAN P10635 Q16752 Q2XND6 Q2XND7 Q2XNE0 Q6B012 Q6NXU8 Cytochrome P450 C1ID52_HUMAN C1ID52 1575471 O=C(c1ccccc1)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21 787210 US12473262, Compound 494 Cytochrome P450 2B6 Homo sapiens >45000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787210 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6685&target=Cytochrome+P450+2B6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787210&enzyme=Cytochrome+P450+2B6&column=ki&startPg=0&Increment=50&submit=Search 155598845 523969955 1 MELSVLLFLALLTGLLLLLVQRHPNTHDRLPPGPRPLPLLGNLLQMDRRGLLKSFLRFREKYGDVFTVHLGPRPVVMLCGVEAIREALVDKAEAFSGRGKIAMVDPFFRGYGVIFANGNRWKVLRRFSVTTMRDFGMGKRSVEERIQEEAQCLIEELRKSKGALMDPTFLFQSITANIICSIVFGKRFHYQDQEFLKMLNLFYQTFSLISSVFGQLFELFSGFLKYFPGAHRQVYKNLQEINAYIGHSVEKHRETLDPSAPKDLIDTYLLHMEKEKSNAHSEFSHQNLNLNTLSLFFAGTETTSTTLRYGFLLMLKYPHVAERVYREIEQVIGPHRPPELHDRAKMPYTEAVIYEIQRFSDLLPMGVPHIVTQHTSFRGYIIPKDTEVFLILSTALHDPHYFEKPDAFNPDHFLDANGALKKTEAFIPFSLGKRICLGEGIARAELFLFFTTILQNFSMASPVAPEDIDLTPQECGVGKIPPTYQIRFLPR Cytochrome P450 2B6 CP2B6_HUMAN P20813 B4DWP3 Q2V565 Q9UK46 1575472 O=C(c1ccccc1)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21 787210 US12473262, Compound 494 Cytochrome P450 2C8 Homo sapiens 2500 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787210 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7129&target=Cytochrome+P450+2C8&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787210&enzyme=Cytochrome+P450+2C8&column=ki&startPg=0&Increment=50&submit=Search 155598845 523969955 1 MEPFVVLVLCLSFMLLFSLWRQSCRRRKLPPGPTPLPIIGNMLQIDVKDICKSFTNFSKVYGPVFTVYFGMNPIVVFHGYEAVKEALIDNGEEFSGRGNSPISQRITKGLGIISSNGKRWKEIRRFSLTTLRNFGMGKRSIEDRVQEEAHCLVEELRKTKASPCDPTFILGCAPCNVICSVVFQKRFDYKDQNFLTLMKRFNENFRILNSPWIQVCNNFPLLIDCFPGTHNKVLKNVALTRSYIREKVKEHQASLDVNNPRDFIDCFLIKMEQEKDNQKSEFNIENLVGTVADLFVAGTETTSTTLRYGLLLLLKHPEVTAKVQEEIDHVIGRHRSPCMQDRSHMPYTDAVVHEIQRYSDLVPTGVPHAVTTDTKFRNYLIPKGTTIMALLTSVLHDDKEFPNPNIFDPGHFLDKNGNFKKSDYFMPFSAGKRICAGEGLARMELFLFLTTILQNFNLKSVDDLKNLNTTAVTKGIVSLPPSYQICFIPV Cytochrome P450 2C8 CP2C8_HUMAN P10632 A8K9N8 B0AZN2 B7Z1F6 Q5VX93 Q8WWB1 Q9UCZ9 1575473 O=C(c1ccccc1)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21 787210 US12473262, Compound 494 Cytochrome P450 2C19 Homo sapiens 5200 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787210 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2148&target=Cytochrome+P450+2C19&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787210&enzyme=Cytochrome+P450+2C19&column=ki&startPg=0&Increment=50&submit=Search 155598845 523969955 1 MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKIYGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFMESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYIDLIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFKKSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVPPFYQLCFIPV Cytochrome P450 2C19 CP2CJ_HUMAN P33261 P33259 Q8WZB1 Q8WZB2 Q9UCD4 1575474 O=C(c1ccccc1)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21 787210 US12473262, Compound 494 Cytochrome P450 3A4 Homo sapiens 1200 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787210 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2127&target=Cytochrome+P450+3A4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787210&enzyme=Cytochrome+P450+3A4&column=ki&startPg=0&Increment=50&submit=Search 155598845 523969955 1 MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVSGA 7LXL,3NXU,2V0M,2J0D,1W0G,1W0F,1W0E,9GK1,4NY4 Cytochrome P450 3A4 CP3A4_HUMAN P08684 P05184 Q16757 Q9UK50 Cytochrome P450 3A Q6GRK0_HUMAN Q6GRK0 1575475 O=C(c1ccccc1)n1c(-c2cccc3ccccc23)nc2ccc(Cl)cc21 787211 US12473262, Compound 495 Cytochrome P450 1A2 Homo sapiens 300 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787211 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2146&target=Cytochrome+P450+1A2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787211&enzyme=Cytochrome+P450+1A2&column=ki&startPg=0&Increment=50&submit=Search 156055709 523969956 1 MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKNPHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDGQSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELMAGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFPILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGNLIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLSDRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPELWEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLEFSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN 2HI4 Cytochrome P450 1A2 CP1A2_HUMAN P05177 Q16754 Q6NWU3 Q6NWU5 Q9BXX7 Q9UK49 1575476 O=C(c1ccccc1)n1c(-c2cccc3ccccc23)nc2ccc(Cl)cc21 787211 US12473262, Compound 495 Cytochrome P450 2C9 Homo sapiens 5600 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787211 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2128&target=Cytochrome+P450+2C9&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787211&enzyme=Cytochrome+P450+2C9&column=ki&startPg=0&Increment=50&submit=Search 156055709 523969956 1 MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV Cytochrome P450 2C9 CP2C9_HUMAN P11712 P11713 Q16756 Q16872 Q5VX92 Q6IRV8 Q8WW80 1575477 O=C(c1ccccc1)n1c(-c2cccc3ccccc23)nc2ccc(Cl)cc21 787211 US12473262, Compound 495 Cytochrome P450 2D6 Homo sapiens 32600 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787211 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=356&target=Cytochrome+P450+2D6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787211&enzyme=Cytochrome+P450+2D6&column=ki&startPg=0&Increment=50&submit=Search 156055709 523969956 1 MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR 6CSD,6CSB Cytochrome P450 2D6 CP2D6_HUMAN P10635 Q16752 Q2XND6 Q2XND7 Q2XNE0 Q6B012 Q6NXU8 Cytochrome P450 C1ID52_HUMAN C1ID52 1575478 O=C(c1ccccc1)n1c(-c2cccc3ccccc23)nc2ccc(Cl)cc21 787211 US12473262, Compound 495 Cytochrome P450 2B6 Homo sapiens 19300 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787211 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6685&target=Cytochrome+P450+2B6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787211&enzyme=Cytochrome+P450+2B6&column=ki&startPg=0&Increment=50&submit=Search 156055709 523969956 1 MELSVLLFLALLTGLLLLLVQRHPNTHDRLPPGPRPLPLLGNLLQMDRRGLLKSFLRFREKYGDVFTVHLGPRPVVMLCGVEAIREALVDKAEAFSGRGKIAMVDPFFRGYGVIFANGNRWKVLRRFSVTTMRDFGMGKRSVEERIQEEAQCLIEELRKSKGALMDPTFLFQSITANIICSIVFGKRFHYQDQEFLKMLNLFYQTFSLISSVFGQLFELFSGFLKYFPGAHRQVYKNLQEINAYIGHSVEKHRETLDPSAPKDLIDTYLLHMEKEKSNAHSEFSHQNLNLNTLSLFFAGTETTSTTLRYGFLLMLKYPHVAERVYREIEQVIGPHRPPELHDRAKMPYTEAVIYEIQRFSDLLPMGVPHIVTQHTSFRGYIIPKDTEVFLILSTALHDPHYFEKPDAFNPDHFLDANGALKKTEAFIPFSLGKRICLGEGIARAELFLFFTTILQNFSMASPVAPEDIDLTPQECGVGKIPPTYQIRFLPR Cytochrome P450 2B6 CP2B6_HUMAN P20813 B4DWP3 Q2V565 Q9UK46 1575479 O=C(c1ccccc1)n1c(-c2cccc3ccccc23)nc2ccc(Cl)cc21 787211 US12473262, Compound 495 Cytochrome P450 2C8 Homo sapiens 1900 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787211 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7129&target=Cytochrome+P450+2C8&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787211&enzyme=Cytochrome+P450+2C8&column=ki&startPg=0&Increment=50&submit=Search 156055709 523969956 1 MEPFVVLVLCLSFMLLFSLWRQSCRRRKLPPGPTPLPIIGNMLQIDVKDICKSFTNFSKVYGPVFTVYFGMNPIVVFHGYEAVKEALIDNGEEFSGRGNSPISQRITKGLGIISSNGKRWKEIRRFSLTTLRNFGMGKRSIEDRVQEEAHCLVEELRKTKASPCDPTFILGCAPCNVICSVVFQKRFDYKDQNFLTLMKRFNENFRILNSPWIQVCNNFPLLIDCFPGTHNKVLKNVALTRSYIREKVKEHQASLDVNNPRDFIDCFLIKMEQEKDNQKSEFNIENLVGTVADLFVAGTETTSTTLRYGLLLLLKHPEVTAKVQEEIDHVIGRHRSPCMQDRSHMPYTDAVVHEIQRYSDLVPTGVPHAVTTDTKFRNYLIPKGTTIMALLTSVLHDDKEFPNPNIFDPGHFLDKNGNFKKSDYFMPFSAGKRICAGEGLARMELFLFLTTILQNFNLKSVDDLKNLNTTAVTKGIVSLPPSYQICFIPV Cytochrome P450 2C8 CP2C8_HUMAN P10632 A8K9N8 B0AZN2 B7Z1F6 Q5VX93 Q8WWB1 Q9UCZ9 1575480 O=C(c1ccccc1)n1c(-c2cccc3ccccc23)nc2ccc(Cl)cc21 787211 US12473262, Compound 495 Cytochrome P450 2C19 Homo sapiens 1400 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787211 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2148&target=Cytochrome+P450+2C19&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787211&enzyme=Cytochrome+P450+2C19&column=ki&startPg=0&Increment=50&submit=Search 156055709 523969956 1 MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKIYGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFMESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYIDLIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFKKSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVPPFYQLCFIPV Cytochrome P450 2C19 CP2CJ_HUMAN P33261 P33259 Q8WZB1 Q8WZB2 Q9UCD4 1575481 O=C(c1ccccc1)n1c(-c2cccc3ccccc23)nc2ccc(Cl)cc21 787211 US12473262, Compound 495 Cytochrome P450 3A4 Homo sapiens 5300 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787211 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2127&target=Cytochrome+P450+3A4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787211&enzyme=Cytochrome+P450+3A4&column=ki&startPg=0&Increment=50&submit=Search 156055709 523969956 1 MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVSGA 7LXL,3NXU,2V0M,2J0D,1W0G,1W0F,1W0E,9GK1,4NY4 Cytochrome P450 3A4 CP3A4_HUMAN P08684 P05184 Q16757 Q9UK50 Cytochrome P450 3A Q6GRK0_HUMAN Q6GRK0 1575482 O=C(c1ccc(F)c(F)c1)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21 787212 US12473262, Compound 529 Cytochrome P450 1A2 Homo sapiens 600 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787212 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2146&target=Cytochrome+P450+1A2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787212&enzyme=Cytochrome+P450+1A2&column=ki&startPg=0&Increment=50&submit=Search 155598833 523969957 1 MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKNPHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDGQSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELMAGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFPILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGNLIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLSDRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPELWEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLEFSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN 2HI4 Cytochrome P450 1A2 CP1A2_HUMAN P05177 Q16754 Q6NWU3 Q6NWU5 Q9BXX7 Q9UK49 1575483 O=C(c1ccc(F)c(F)c1)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21 787212 US12473262, Compound 529 Cytochrome P450 2C9 Homo sapiens 3500 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787212 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2128&target=Cytochrome+P450+2C9&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787212&enzyme=Cytochrome+P450+2C9&column=ki&startPg=0&Increment=50&submit=Search 155598833 523969957 1 MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV Cytochrome P450 2C9 CP2C9_HUMAN P11712 P11713 Q16756 Q16872 Q5VX92 Q6IRV8 Q8WW80 1575484 O=C(c1ccc(F)c(F)c1)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21 787212 US12473262, Compound 529 Cytochrome P450 2D6 Homo sapiens >50000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787212 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=356&target=Cytochrome+P450+2D6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787212&enzyme=Cytochrome+P450+2D6&column=ki&startPg=0&Increment=50&submit=Search 155598833 523969957 1 MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR 6CSD,6CSB Cytochrome P450 2D6 CP2D6_HUMAN P10635 Q16752 Q2XND6 Q2XND7 Q2XNE0 Q6B012 Q6NXU8 Cytochrome P450 C1ID52_HUMAN C1ID52 1575485 O=C(c1ccc(F)c(F)c1)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21 787212 US12473262, Compound 529 Cytochrome P450 2B6 Homo sapiens 9600 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787212 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6685&target=Cytochrome+P450+2B6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787212&enzyme=Cytochrome+P450+2B6&column=ki&startPg=0&Increment=50&submit=Search 155598833 523969957 1 MELSVLLFLALLTGLLLLLVQRHPNTHDRLPPGPRPLPLLGNLLQMDRRGLLKSFLRFREKYGDVFTVHLGPRPVVMLCGVEAIREALVDKAEAFSGRGKIAMVDPFFRGYGVIFANGNRWKVLRRFSVTTMRDFGMGKRSVEERIQEEAQCLIEELRKSKGALMDPTFLFQSITANIICSIVFGKRFHYQDQEFLKMLNLFYQTFSLISSVFGQLFELFSGFLKYFPGAHRQVYKNLQEINAYIGHSVEKHRETLDPSAPKDLIDTYLLHMEKEKSNAHSEFSHQNLNLNTLSLFFAGTETTSTTLRYGFLLMLKYPHVAERVYREIEQVIGPHRPPELHDRAKMPYTEAVIYEIQRFSDLLPMGVPHIVTQHTSFRGYIIPKDTEVFLILSTALHDPHYFEKPDAFNPDHFLDANGALKKTEAFIPFSLGKRICLGEGIARAELFLFFTTILQNFSMASPVAPEDIDLTPQECGVGKIPPTYQIRFLPR Cytochrome P450 2B6 CP2B6_HUMAN P20813 B4DWP3 Q2V565 Q9UK46 1575486 O=C(c1ccc(F)c(F)c1)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21 787212 US12473262, Compound 529 Cytochrome P450 2C8 Homo sapiens 9600 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787212 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7129&target=Cytochrome+P450+2C8&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787212&enzyme=Cytochrome+P450+2C8&column=ki&startPg=0&Increment=50&submit=Search 155598833 523969957 1 MEPFVVLVLCLSFMLLFSLWRQSCRRRKLPPGPTPLPIIGNMLQIDVKDICKSFTNFSKVYGPVFTVYFGMNPIVVFHGYEAVKEALIDNGEEFSGRGNSPISQRITKGLGIISSNGKRWKEIRRFSLTTLRNFGMGKRSIEDRVQEEAHCLVEELRKTKASPCDPTFILGCAPCNVICSVVFQKRFDYKDQNFLTLMKRFNENFRILNSPWIQVCNNFPLLIDCFPGTHNKVLKNVALTRSYIREKVKEHQASLDVNNPRDFIDCFLIKMEQEKDNQKSEFNIENLVGTVADLFVAGTETTSTTLRYGLLLLLKHPEVTAKVQEEIDHVIGRHRSPCMQDRSHMPYTDAVVHEIQRYSDLVPTGVPHAVTTDTKFRNYLIPKGTTIMALLTSVLHDDKEFPNPNIFDPGHFLDKNGNFKKSDYFMPFSAGKRICAGEGLARMELFLFLTTILQNFNLKSVDDLKNLNTTAVTKGIVSLPPSYQICFIPV Cytochrome P450 2C8 CP2C8_HUMAN P10632 A8K9N8 B0AZN2 B7Z1F6 Q5VX93 Q8WWB1 Q9UCZ9 1575487 O=C(c1ccc(F)c(F)c1)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21 787212 US12473262, Compound 529 Cytochrome P450 2C19 Homo sapiens 3600 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787212 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2148&target=Cytochrome+P450+2C19&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787212&enzyme=Cytochrome+P450+2C19&column=ki&startPg=0&Increment=50&submit=Search 155598833 523969957 1 MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKIYGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFMESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYIDLIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFKKSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVPPFYQLCFIPV Cytochrome P450 2C19 CP2CJ_HUMAN P33261 P33259 Q8WZB1 Q8WZB2 Q9UCD4 1575488 O=C(c1ccc(F)c(F)c1)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21 787212 US12473262, Compound 529 Cytochrome P450 3A4 Homo sapiens 1200 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787212 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2127&target=Cytochrome+P450+3A4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787212&enzyme=Cytochrome+P450+3A4&column=ki&startPg=0&Increment=50&submit=Search 155598833 523969957 1 MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVSGA 7LXL,3NXU,2V0M,2J0D,1W0G,1W0F,1W0E,9GK1,4NY4 Cytochrome P450 3A4 CP3A4_HUMAN P08684 P05184 Q16757 Q9UK50 Cytochrome P450 3A Q6GRK0_HUMAN Q6GRK0 1575489 O=C(c1ccc(F)c(F)c1)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21 787213 US12473262, Compound 530 Cytochrome P450 1A2 Homo sapiens 500 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787213 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2146&target=Cytochrome+P450+1A2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787213&enzyme=Cytochrome+P450+1A2&column=ki&startPg=0&Increment=50&submit=Search 155598833 523969958 1 MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKNPHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDGQSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELMAGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFPILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGNLIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLSDRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPELWEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLEFSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN 2HI4 Cytochrome P450 1A2 CP1A2_HUMAN P05177 Q16754 Q6NWU3 Q6NWU5 Q9BXX7 Q9UK49 1575490 O=C(c1ccc(F)c(F)c1)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21 787213 US12473262, Compound 530 Cytochrome P450 2C9 Homo sapiens 5000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787213 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2128&target=Cytochrome+P450+2C9&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787213&enzyme=Cytochrome+P450+2C9&column=ki&startPg=0&Increment=50&submit=Search 155598833 523969958 1 MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV Cytochrome P450 2C9 CP2C9_HUMAN P11712 P11713 Q16756 Q16872 Q5VX92 Q6IRV8 Q8WW80 1575491 O=C(c1ccc(F)c(F)c1)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21 787213 US12473262, Compound 530 Cytochrome P450 2D6 Homo sapiens >50000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787213 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=356&target=Cytochrome+P450+2D6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787213&enzyme=Cytochrome+P450+2D6&column=ki&startPg=0&Increment=50&submit=Search 155598833 523969958 1 MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR 6CSD,6CSB Cytochrome P450 2D6 CP2D6_HUMAN P10635 Q16752 Q2XND6 Q2XND7 Q2XNE0 Q6B012 Q6NXU8 Cytochrome P450 C1ID52_HUMAN C1ID52 1575492 O=C(c1ccc(F)c(F)c1)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21 787213 US12473262, Compound 530 Cytochrome P450 2B6 Homo sapiens 9400 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787213 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6685&target=Cytochrome+P450+2B6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787213&enzyme=Cytochrome+P450+2B6&column=ki&startPg=0&Increment=50&submit=Search 155598833 523969958 1 MELSVLLFLALLTGLLLLLVQRHPNTHDRLPPGPRPLPLLGNLLQMDRRGLLKSFLRFREKYGDVFTVHLGPRPVVMLCGVEAIREALVDKAEAFSGRGKIAMVDPFFRGYGVIFANGNRWKVLRRFSVTTMRDFGMGKRSVEERIQEEAQCLIEELRKSKGALMDPTFLFQSITANIICSIVFGKRFHYQDQEFLKMLNLFYQTFSLISSVFGQLFELFSGFLKYFPGAHRQVYKNLQEINAYIGHSVEKHRETLDPSAPKDLIDTYLLHMEKEKSNAHSEFSHQNLNLNTLSLFFAGTETTSTTLRYGFLLMLKYPHVAERVYREIEQVIGPHRPPELHDRAKMPYTEAVIYEIQRFSDLLPMGVPHIVTQHTSFRGYIIPKDTEVFLILSTALHDPHYFEKPDAFNPDHFLDANGALKKTEAFIPFSLGKRICLGEGIARAELFLFFTTILQNFSMASPVAPEDIDLTPQECGVGKIPPTYQIRFLPR Cytochrome P450 2B6 CP2B6_HUMAN P20813 B4DWP3 Q2V565 Q9UK46 1575493 O=C(c1ccc(F)c(F)c1)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21 787213 US12473262, Compound 530 Cytochrome P450 2C8 Homo sapiens 9400 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787213 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7129&target=Cytochrome+P450+2C8&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787213&enzyme=Cytochrome+P450+2C8&column=ki&startPg=0&Increment=50&submit=Search 155598833 523969958 1 MEPFVVLVLCLSFMLLFSLWRQSCRRRKLPPGPTPLPIIGNMLQIDVKDICKSFTNFSKVYGPVFTVYFGMNPIVVFHGYEAVKEALIDNGEEFSGRGNSPISQRITKGLGIISSNGKRWKEIRRFSLTTLRNFGMGKRSIEDRVQEEAHCLVEELRKTKASPCDPTFILGCAPCNVICSVVFQKRFDYKDQNFLTLMKRFNENFRILNSPWIQVCNNFPLLIDCFPGTHNKVLKNVALTRSYIREKVKEHQASLDVNNPRDFIDCFLIKMEQEKDNQKSEFNIENLVGTVADLFVAGTETTSTTLRYGLLLLLKHPEVTAKVQEEIDHVIGRHRSPCMQDRSHMPYTDAVVHEIQRYSDLVPTGVPHAVTTDTKFRNYLIPKGTTIMALLTSVLHDDKEFPNPNIFDPGHFLDKNGNFKKSDYFMPFSAGKRICAGEGLARMELFLFLTTILQNFNLKSVDDLKNLNTTAVTKGIVSLPPSYQICFIPV Cytochrome P450 2C8 CP2C8_HUMAN P10632 A8K9N8 B0AZN2 B7Z1F6 Q5VX93 Q8WWB1 Q9UCZ9 1575494 O=C(c1ccc(F)c(F)c1)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21 787213 US12473262, Compound 530 Cytochrome P450 2C19 Homo sapiens 3400 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787213 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2148&target=Cytochrome+P450+2C19&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787213&enzyme=Cytochrome+P450+2C19&column=ki&startPg=0&Increment=50&submit=Search 155598833 523969958 1 MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKIYGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFMESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYIDLIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFKKSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVPPFYQLCFIPV Cytochrome P450 2C19 CP2CJ_HUMAN P33261 P33259 Q8WZB1 Q8WZB2 Q9UCD4 1575495 O=C(c1ccc(F)c(F)c1)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21 787213 US12473262, Compound 530 Cytochrome P450 3A4 Homo sapiens 3700 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787213 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2127&target=Cytochrome+P450+3A4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787213&enzyme=Cytochrome+P450+3A4&column=ki&startPg=0&Increment=50&submit=Search 155598833 523969958 1 MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVSGA 7LXL,3NXU,2V0M,2J0D,1W0G,1W0F,1W0E,9GK1,4NY4 Cytochrome P450 3A4 CP3A4_HUMAN P08684 P05184 Q16757 Q9UK50 Cytochrome P450 3A Q6GRK0_HUMAN Q6GRK0 1575496 COc1ccc(C(=O)n2c(-c3cccc4ccccc34)nc3cc(Cl)ccc32)cc1 787214 US12473262, Compound 535 Cytochrome P450 1A2 Homo sapiens 3900 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787214 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2146&target=Cytochrome+P450+1A2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787214&enzyme=Cytochrome+P450+1A2&column=ki&startPg=0&Increment=50&submit=Search 155599086 523969959 1 MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKNPHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDGQSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELMAGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFPILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGNLIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLSDRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPELWEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLEFSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN 2HI4 Cytochrome P450 1A2 CP1A2_HUMAN P05177 Q16754 Q6NWU3 Q6NWU5 Q9BXX7 Q9UK49 1575497 COc1ccc(C(=O)n2c(-c3cccc4ccccc34)nc3cc(Cl)ccc32)cc1 787214 US12473262, Compound 535 Cytochrome P450 2C9 Homo sapiens 2500 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787214 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2128&target=Cytochrome+P450+2C9&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787214&enzyme=Cytochrome+P450+2C9&column=ki&startPg=0&Increment=50&submit=Search 155599086 523969959 1 MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV Cytochrome P450 2C9 CP2C9_HUMAN P11712 P11713 Q16756 Q16872 Q5VX92 Q6IRV8 Q8WW80 1575498 COc1ccc(C(=O)n2c(-c3cccc4ccccc34)nc3cc(Cl)ccc32)cc1 787214 US12473262, Compound 535 Cytochrome P450 2D6 Homo sapiens >50000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787214 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=356&target=Cytochrome+P450+2D6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787214&enzyme=Cytochrome+P450+2D6&column=ki&startPg=0&Increment=50&submit=Search 155599086 523969959 1 MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR 6CSD,6CSB Cytochrome P450 2D6 CP2D6_HUMAN P10635 Q16752 Q2XND6 Q2XND7 Q2XNE0 Q6B012 Q6NXU8 Cytochrome P450 C1ID52_HUMAN C1ID52 1575499 COc1ccc(C(=O)n2c(-c3cccc4ccccc34)nc3cc(Cl)ccc32)cc1 787214 US12473262, Compound 535 Cytochrome P450 2B6 Homo sapiens 21500 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787214 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6685&target=Cytochrome+P450+2B6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787214&enzyme=Cytochrome+P450+2B6&column=ki&startPg=0&Increment=50&submit=Search 155599086 523969959 1 MELSVLLFLALLTGLLLLLVQRHPNTHDRLPPGPRPLPLLGNLLQMDRRGLLKSFLRFREKYGDVFTVHLGPRPVVMLCGVEAIREALVDKAEAFSGRGKIAMVDPFFRGYGVIFANGNRWKVLRRFSVTTMRDFGMGKRSVEERIQEEAQCLIEELRKSKGALMDPTFLFQSITANIICSIVFGKRFHYQDQEFLKMLNLFYQTFSLISSVFGQLFELFSGFLKYFPGAHRQVYKNLQEINAYIGHSVEKHRETLDPSAPKDLIDTYLLHMEKEKSNAHSEFSHQNLNLNTLSLFFAGTETTSTTLRYGFLLMLKYPHVAERVYREIEQVIGPHRPPELHDRAKMPYTEAVIYEIQRFSDLLPMGVPHIVTQHTSFRGYIIPKDTEVFLILSTALHDPHYFEKPDAFNPDHFLDANGALKKTEAFIPFSLGKRICLGEGIARAELFLFFTTILQNFSMASPVAPEDIDLTPQECGVGKIPPTYQIRFLPR Cytochrome P450 2B6 CP2B6_HUMAN P20813 B4DWP3 Q2V565 Q9UK46 1575500 COc1ccc(C(=O)n2c(-c3cccc4ccccc34)nc3cc(Cl)ccc32)cc1 787214 US12473262, Compound 535 Cytochrome P450 2C8 Homo sapiens 21800 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787214 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7129&target=Cytochrome+P450+2C8&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787214&enzyme=Cytochrome+P450+2C8&column=ki&startPg=0&Increment=50&submit=Search 155599086 523969959 1 MEPFVVLVLCLSFMLLFSLWRQSCRRRKLPPGPTPLPIIGNMLQIDVKDICKSFTNFSKVYGPVFTVYFGMNPIVVFHGYEAVKEALIDNGEEFSGRGNSPISQRITKGLGIISSNGKRWKEIRRFSLTTLRNFGMGKRSIEDRVQEEAHCLVEELRKTKASPCDPTFILGCAPCNVICSVVFQKRFDYKDQNFLTLMKRFNENFRILNSPWIQVCNNFPLLIDCFPGTHNKVLKNVALTRSYIREKVKEHQASLDVNNPRDFIDCFLIKMEQEKDNQKSEFNIENLVGTVADLFVAGTETTSTTLRYGLLLLLKHPEVTAKVQEEIDHVIGRHRSPCMQDRSHMPYTDAVVHEIQRYSDLVPTGVPHAVTTDTKFRNYLIPKGTTIMALLTSVLHDDKEFPNPNIFDPGHFLDKNGNFKKSDYFMPFSAGKRICAGEGLARMELFLFLTTILQNFNLKSVDDLKNLNTTAVTKGIVSLPPSYQICFIPV Cytochrome P450 2C8 CP2C8_HUMAN P10632 A8K9N8 B0AZN2 B7Z1F6 Q5VX93 Q8WWB1 Q9UCZ9 1575501 COc1ccc(C(=O)n2c(-c3cccc4ccccc34)nc3cc(Cl)ccc32)cc1 787214 US12473262, Compound 535 Cytochrome P450 2C19 Homo sapiens 2100 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787214 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2148&target=Cytochrome+P450+2C19&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787214&enzyme=Cytochrome+P450+2C19&column=ki&startPg=0&Increment=50&submit=Search 155599086 523969959 1 MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKIYGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFMESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYIDLIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFKKSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVPPFYQLCFIPV Cytochrome P450 2C19 CP2CJ_HUMAN P33261 P33259 Q8WZB1 Q8WZB2 Q9UCD4 1575502 COc1ccc(C(=O)n2c(-c3cccc4ccccc34)nc3cc(Cl)ccc32)cc1 787214 US12473262, Compound 535 Cytochrome P450 3A4 Homo sapiens 200 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787214 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2127&target=Cytochrome+P450+3A4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787214&enzyme=Cytochrome+P450+3A4&column=ki&startPg=0&Increment=50&submit=Search 155599086 523969959 1 MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVSGA 7LXL,3NXU,2V0M,2J0D,1W0G,1W0F,1W0E,9GK1,4NY4 Cytochrome P450 3A4 CP3A4_HUMAN P08684 P05184 Q16757 Q9UK50 Cytochrome P450 3A Q6GRK0_HUMAN Q6GRK0 1575503 COc1ccc(C(=O)n2c(-c3cccc4ccccc34)nc3ccc(Cl)cc32)cc1 787215 US12473262, Compound 536 Cytochrome P450 1A2 Homo sapiens 600 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787215 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2146&target=Cytochrome+P450+1A2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787215&enzyme=Cytochrome+P450+1A2&column=ki&startPg=0&Increment=50&submit=Search 156055708 523969960 1 MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKNPHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDGQSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELMAGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFPILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGNLIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLSDRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPELWEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLEFSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN 2HI4 Cytochrome P450 1A2 CP1A2_HUMAN P05177 Q16754 Q6NWU3 Q6NWU5 Q9BXX7 Q9UK49 1575504 COc1ccc(C(=O)n2c(-c3cccc4ccccc34)nc3ccc(Cl)cc32)cc1 787215 US12473262, Compound 536 Cytochrome P450 2C9 Homo sapiens 4800 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787215 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2128&target=Cytochrome+P450+2C9&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787215&enzyme=Cytochrome+P450+2C9&column=ki&startPg=0&Increment=50&submit=Search 156055708 523969960 1 MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV Cytochrome P450 2C9 CP2C9_HUMAN P11712 P11713 Q16756 Q16872 Q5VX92 Q6IRV8 Q8WW80 1575505 COc1ccc(C(=O)n2c(-c3cccc4ccccc34)nc3ccc(Cl)cc32)cc1 787215 US12473262, Compound 536 Cytochrome P450 2D6 Homo sapiens >50000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787215 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=356&target=Cytochrome+P450+2D6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787215&enzyme=Cytochrome+P450+2D6&column=ki&startPg=0&Increment=50&submit=Search 156055708 523969960 1 MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR 6CSD,6CSB Cytochrome P450 2D6 CP2D6_HUMAN P10635 Q16752 Q2XND6 Q2XND7 Q2XNE0 Q6B012 Q6NXU8 Cytochrome P450 C1ID52_HUMAN C1ID52 1575506 COc1ccc(C(=O)n2c(-c3cccc4ccccc34)nc3ccc(Cl)cc32)cc1 787215 US12473262, Compound 536 Cytochrome P450 2B6 Homo sapiens 16000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787215 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6685&target=Cytochrome+P450+2B6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787215&enzyme=Cytochrome+P450+2B6&column=ki&startPg=0&Increment=50&submit=Search 156055708 523969960 1 MELSVLLFLALLTGLLLLLVQRHPNTHDRLPPGPRPLPLLGNLLQMDRRGLLKSFLRFREKYGDVFTVHLGPRPVVMLCGVEAIREALVDKAEAFSGRGKIAMVDPFFRGYGVIFANGNRWKVLRRFSVTTMRDFGMGKRSVEERIQEEAQCLIEELRKSKGALMDPTFLFQSITANIICSIVFGKRFHYQDQEFLKMLNLFYQTFSLISSVFGQLFELFSGFLKYFPGAHRQVYKNLQEINAYIGHSVEKHRETLDPSAPKDLIDTYLLHMEKEKSNAHSEFSHQNLNLNTLSLFFAGTETTSTTLRYGFLLMLKYPHVAERVYREIEQVIGPHRPPELHDRAKMPYTEAVIYEIQRFSDLLPMGVPHIVTQHTSFRGYIIPKDTEVFLILSTALHDPHYFEKPDAFNPDHFLDANGALKKTEAFIPFSLGKRICLGEGIARAELFLFFTTILQNFSMASPVAPEDIDLTPQECGVGKIPPTYQIRFLPR Cytochrome P450 2B6 CP2B6_HUMAN P20813 B4DWP3 Q2V565 Q9UK46 1575507 COc1ccc(C(=O)n2c(-c3cccc4ccccc34)nc3ccc(Cl)cc32)cc1 787215 US12473262, Compound 536 Cytochrome P450 2C8 Homo sapiens 17100 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787215 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7129&target=Cytochrome+P450+2C8&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787215&enzyme=Cytochrome+P450+2C8&column=ki&startPg=0&Increment=50&submit=Search 156055708 523969960 1 MEPFVVLVLCLSFMLLFSLWRQSCRRRKLPPGPTPLPIIGNMLQIDVKDICKSFTNFSKVYGPVFTVYFGMNPIVVFHGYEAVKEALIDNGEEFSGRGNSPISQRITKGLGIISSNGKRWKEIRRFSLTTLRNFGMGKRSIEDRVQEEAHCLVEELRKTKASPCDPTFILGCAPCNVICSVVFQKRFDYKDQNFLTLMKRFNENFRILNSPWIQVCNNFPLLIDCFPGTHNKVLKNVALTRSYIREKVKEHQASLDVNNPRDFIDCFLIKMEQEKDNQKSEFNIENLVGTVADLFVAGTETTSTTLRYGLLLLLKHPEVTAKVQEEIDHVIGRHRSPCMQDRSHMPYTDAVVHEIQRYSDLVPTGVPHAVTTDTKFRNYLIPKGTTIMALLTSVLHDDKEFPNPNIFDPGHFLDKNGNFKKSDYFMPFSAGKRICAGEGLARMELFLFLTTILQNFNLKSVDDLKNLNTTAVTKGIVSLPPSYQICFIPV Cytochrome P450 2C8 CP2C8_HUMAN P10632 A8K9N8 B0AZN2 B7Z1F6 Q5VX93 Q8WWB1 Q9UCZ9 1575508 COc1ccc(C(=O)n2c(-c3cccc4ccccc34)nc3ccc(Cl)cc32)cc1 787215 US12473262, Compound 536 Cytochrome P450 2C19 Homo sapiens 2600 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787215 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2148&target=Cytochrome+P450+2C19&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787215&enzyme=Cytochrome+P450+2C19&column=ki&startPg=0&Increment=50&submit=Search 156055708 523969960 1 MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKIYGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFMESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYIDLIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFKKSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVPPFYQLCFIPV Cytochrome P450 2C19 CP2CJ_HUMAN P33261 P33259 Q8WZB1 Q8WZB2 Q9UCD4 1575509 COc1ccc(C(=O)n2c(-c3cccc4ccccc34)nc3ccc(Cl)cc32)cc1 787215 US12473262, Compound 536 Cytochrome P450 3A4 Homo sapiens 1700 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787215 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2127&target=Cytochrome+P450+3A4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787215&enzyme=Cytochrome+P450+3A4&column=ki&startPg=0&Increment=50&submit=Search 156055708 523969960 1 MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVSGA 7LXL,3NXU,2V0M,2J0D,1W0G,1W0F,1W0E,9GK1,4NY4 Cytochrome P450 3A4 CP3A4_HUMAN P08684 P05184 Q16757 Q9UK50 Cytochrome P450 3A Q6GRK0_HUMAN Q6GRK0 1575510 O=C(c1ccc(F)cc1)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21 787216 US12473262, Compound 586 Cytochrome P450 1A2 Homo sapiens 1700 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787216 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2146&target=Cytochrome+P450+1A2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787216&enzyme=Cytochrome+P450+1A2&column=ki&startPg=0&Increment=50&submit=Search 155598856 523969961 1 MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKNPHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDGQSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELMAGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFPILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGNLIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLSDRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPELWEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLEFSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN 2HI4 Cytochrome P450 1A2 CP1A2_HUMAN P05177 Q16754 Q6NWU3 Q6NWU5 Q9BXX7 Q9UK49 1575511 O=C(c1ccc(F)cc1)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21 787216 US12473262, Compound 586 Cytochrome P450 2C9 Homo sapiens 7900 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787216 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2128&target=Cytochrome+P450+2C9&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787216&enzyme=Cytochrome+P450+2C9&column=ki&startPg=0&Increment=50&submit=Search 155598856 523969961 1 MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV Cytochrome P450 2C9 CP2C9_HUMAN P11712 P11713 Q16756 Q16872 Q5VX92 Q6IRV8 Q8WW80 1575512 O=C(c1ccc(F)cc1)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21 787216 US12473262, Compound 586 Cytochrome P450 2D6 Homo sapiens >50000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787216 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=356&target=Cytochrome+P450+2D6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787216&enzyme=Cytochrome+P450+2D6&column=ki&startPg=0&Increment=50&submit=Search 155598856 523969961 1 MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR 6CSD,6CSB Cytochrome P450 2D6 CP2D6_HUMAN P10635 Q16752 Q2XND6 Q2XND7 Q2XNE0 Q6B012 Q6NXU8 Cytochrome P450 C1ID52_HUMAN C1ID52 1575513 O=C(c1ccc(F)cc1)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21 787216 US12473262, Compound 586 Cytochrome P450 2B6 Homo sapiens 22000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787216 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6685&target=Cytochrome+P450+2B6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787216&enzyme=Cytochrome+P450+2B6&column=ki&startPg=0&Increment=50&submit=Search 155598856 523969961 1 MELSVLLFLALLTGLLLLLVQRHPNTHDRLPPGPRPLPLLGNLLQMDRRGLLKSFLRFREKYGDVFTVHLGPRPVVMLCGVEAIREALVDKAEAFSGRGKIAMVDPFFRGYGVIFANGNRWKVLRRFSVTTMRDFGMGKRSVEERIQEEAQCLIEELRKSKGALMDPTFLFQSITANIICSIVFGKRFHYQDQEFLKMLNLFYQTFSLISSVFGQLFELFSGFLKYFPGAHRQVYKNLQEINAYIGHSVEKHRETLDPSAPKDLIDTYLLHMEKEKSNAHSEFSHQNLNLNTLSLFFAGTETTSTTLRYGFLLMLKYPHVAERVYREIEQVIGPHRPPELHDRAKMPYTEAVIYEIQRFSDLLPMGVPHIVTQHTSFRGYIIPKDTEVFLILSTALHDPHYFEKPDAFNPDHFLDANGALKKTEAFIPFSLGKRICLGEGIARAELFLFFTTILQNFSMASPVAPEDIDLTPQECGVGKIPPTYQIRFLPR Cytochrome P450 2B6 CP2B6_HUMAN P20813 B4DWP3 Q2V565 Q9UK46 1575514 O=C(c1ccc(F)cc1)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21 787216 US12473262, Compound 586 Cytochrome P450 2C8 Homo sapiens 9100 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787216 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7129&target=Cytochrome+P450+2C8&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787216&enzyme=Cytochrome+P450+2C8&column=ki&startPg=0&Increment=50&submit=Search 155598856 523969961 1 MEPFVVLVLCLSFMLLFSLWRQSCRRRKLPPGPTPLPIIGNMLQIDVKDICKSFTNFSKVYGPVFTVYFGMNPIVVFHGYEAVKEALIDNGEEFSGRGNSPISQRITKGLGIISSNGKRWKEIRRFSLTTLRNFGMGKRSIEDRVQEEAHCLVEELRKTKASPCDPTFILGCAPCNVICSVVFQKRFDYKDQNFLTLMKRFNENFRILNSPWIQVCNNFPLLIDCFPGTHNKVLKNVALTRSYIREKVKEHQASLDVNNPRDFIDCFLIKMEQEKDNQKSEFNIENLVGTVADLFVAGTETTSTTLRYGLLLLLKHPEVTAKVQEEIDHVIGRHRSPCMQDRSHMPYTDAVVHEIQRYSDLVPTGVPHAVTTDTKFRNYLIPKGTTIMALLTSVLHDDKEFPNPNIFDPGHFLDKNGNFKKSDYFMPFSAGKRICAGEGLARMELFLFLTTILQNFNLKSVDDLKNLNTTAVTKGIVSLPPSYQICFIPV Cytochrome P450 2C8 CP2C8_HUMAN P10632 A8K9N8 B0AZN2 B7Z1F6 Q5VX93 Q8WWB1 Q9UCZ9 1575515 O=C(c1ccc(F)cc1)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21 787216 US12473262, Compound 586 Cytochrome P450 2C19 Homo sapiens 7100 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787216 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2148&target=Cytochrome+P450+2C19&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787216&enzyme=Cytochrome+P450+2C19&column=ki&startPg=0&Increment=50&submit=Search 155598856 523969961 1 MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKIYGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFMESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYIDLIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFKKSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVPPFYQLCFIPV Cytochrome P450 2C19 CP2CJ_HUMAN P33261 P33259 Q8WZB1 Q8WZB2 Q9UCD4 1575516 O=C(c1ccc(F)cc1)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21 787216 US12473262, Compound 586 Cytochrome P450 3A4 Homo sapiens 1300 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787216 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2127&target=Cytochrome+P450+3A4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787216&enzyme=Cytochrome+P450+3A4&column=ki&startPg=0&Increment=50&submit=Search 155598856 523969961 1 MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVSGA 7LXL,3NXU,2V0M,2J0D,1W0G,1W0F,1W0E,9GK1,4NY4 Cytochrome P450 3A4 CP3A4_HUMAN P08684 P05184 Q16757 Q9UK50 Cytochrome P450 3A Q6GRK0_HUMAN Q6GRK0 1575517 O=C(c1ccc(F)cc1)n1c(-c2cccc3ccccc23)nc2ccc(Cl)cc21 787217 US12473262, Compound 587 Cytochrome P450 1A2 Homo sapiens 400 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787217 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2146&target=Cytochrome+P450+1A2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787217&enzyme=Cytochrome+P450+1A2&column=ki&startPg=0&Increment=50&submit=Search 155598893 523969962 1 MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKNPHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDGQSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELMAGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFPILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGNLIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLSDRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPELWEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLEFSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN 2HI4 Cytochrome P450 1A2 CP1A2_HUMAN P05177 Q16754 Q6NWU3 Q6NWU5 Q9BXX7 Q9UK49 1575518 O=C(c1ccc(F)cc1)n1c(-c2cccc3ccccc23)nc2ccc(Cl)cc21 787217 US12473262, Compound 587 Cytochrome P450 2C9 Homo sapiens 5300 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787217 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2128&target=Cytochrome+P450+2C9&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787217&enzyme=Cytochrome+P450+2C9&column=ki&startPg=0&Increment=50&submit=Search 155598893 523969962 1 MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV Cytochrome P450 2C9 CP2C9_HUMAN P11712 P11713 Q16756 Q16872 Q5VX92 Q6IRV8 Q8WW80 1575519 O=C(c1ccc(F)cc1)n1c(-c2cccc3ccccc23)nc2ccc(Cl)cc21 787217 US12473262, Compound 587 Cytochrome P450 2D6 Homo sapiens 26000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787217 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=356&target=Cytochrome+P450+2D6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787217&enzyme=Cytochrome+P450+2D6&column=ki&startPg=0&Increment=50&submit=Search 155598893 523969962 1 MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR 6CSD,6CSB Cytochrome P450 2D6 CP2D6_HUMAN P10635 Q16752 Q2XND6 Q2XND7 Q2XNE0 Q6B012 Q6NXU8 Cytochrome P450 C1ID52_HUMAN C1ID52 1575520 O=C(c1ccc(F)cc1)n1c(-c2cccc3ccccc23)nc2ccc(Cl)cc21 787217 US12473262, Compound 587 Cytochrome P450 2B6 Homo sapiens 11600 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787217 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6685&target=Cytochrome+P450+2B6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787217&enzyme=Cytochrome+P450+2B6&column=ki&startPg=0&Increment=50&submit=Search 155598893 523969962 1 MELSVLLFLALLTGLLLLLVQRHPNTHDRLPPGPRPLPLLGNLLQMDRRGLLKSFLRFREKYGDVFTVHLGPRPVVMLCGVEAIREALVDKAEAFSGRGKIAMVDPFFRGYGVIFANGNRWKVLRRFSVTTMRDFGMGKRSVEERIQEEAQCLIEELRKSKGALMDPTFLFQSITANIICSIVFGKRFHYQDQEFLKMLNLFYQTFSLISSVFGQLFELFSGFLKYFPGAHRQVYKNLQEINAYIGHSVEKHRETLDPSAPKDLIDTYLLHMEKEKSNAHSEFSHQNLNLNTLSLFFAGTETTSTTLRYGFLLMLKYPHVAERVYREIEQVIGPHRPPELHDRAKMPYTEAVIYEIQRFSDLLPMGVPHIVTQHTSFRGYIIPKDTEVFLILSTALHDPHYFEKPDAFNPDHFLDANGALKKTEAFIPFSLGKRICLGEGIARAELFLFFTTILQNFSMASPVAPEDIDLTPQECGVGKIPPTYQIRFLPR Cytochrome P450 2B6 CP2B6_HUMAN P20813 B4DWP3 Q2V565 Q9UK46 1575521 O=C(c1ccc(F)cc1)n1c(-c2cccc3ccccc23)nc2ccc(Cl)cc21 787217 US12473262, Compound 587 Cytochrome P450 2C8 Homo sapiens 3200 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787217 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7129&target=Cytochrome+P450+2C8&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787217&enzyme=Cytochrome+P450+2C8&column=ki&startPg=0&Increment=50&submit=Search 155598893 523969962 1 MEPFVVLVLCLSFMLLFSLWRQSCRRRKLPPGPTPLPIIGNMLQIDVKDICKSFTNFSKVYGPVFTVYFGMNPIVVFHGYEAVKEALIDNGEEFSGRGNSPISQRITKGLGIISSNGKRWKEIRRFSLTTLRNFGMGKRSIEDRVQEEAHCLVEELRKTKASPCDPTFILGCAPCNVICSVVFQKRFDYKDQNFLTLMKRFNENFRILNSPWIQVCNNFPLLIDCFPGTHNKVLKNVALTRSYIREKVKEHQASLDVNNPRDFIDCFLIKMEQEKDNQKSEFNIENLVGTVADLFVAGTETTSTTLRYGLLLLLKHPEVTAKVQEEIDHVIGRHRSPCMQDRSHMPYTDAVVHEIQRYSDLVPTGVPHAVTTDTKFRNYLIPKGTTIMALLTSVLHDDKEFPNPNIFDPGHFLDKNGNFKKSDYFMPFSAGKRICAGEGLARMELFLFLTTILQNFNLKSVDDLKNLNTTAVTKGIVSLPPSYQICFIPV Cytochrome P450 2C8 CP2C8_HUMAN P10632 A8K9N8 B0AZN2 B7Z1F6 Q5VX93 Q8WWB1 Q9UCZ9 1575522 O=C(c1ccc(F)cc1)n1c(-c2cccc3ccccc23)nc2ccc(Cl)cc21 787217 US12473262, Compound 587 Cytochrome P450 2C19 Homo sapiens 6700 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787217 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2148&target=Cytochrome+P450+2C19&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787217&enzyme=Cytochrome+P450+2C19&column=ki&startPg=0&Increment=50&submit=Search 155598893 523969962 1 MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKIYGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFMESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYIDLIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFKKSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVPPFYQLCFIPV Cytochrome P450 2C19 CP2CJ_HUMAN P33261 P33259 Q8WZB1 Q8WZB2 Q9UCD4 1575523 O=C(c1ccc(F)cc1)n1c(-c2cccc3ccccc23)nc2ccc(Cl)cc21 787217 US12473262, Compound 587 Cytochrome P450 3A4 Homo sapiens 6300 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787217 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2127&target=Cytochrome+P450+3A4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787217&enzyme=Cytochrome+P450+3A4&column=ki&startPg=0&Increment=50&submit=Search 155598893 523969962 1 MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVSGA 7LXL,3NXU,2V0M,2J0D,1W0G,1W0F,1W0E,9GK1,4NY4 Cytochrome P450 3A4 CP3A4_HUMAN P08684 P05184 Q16757 Q9UK50 Cytochrome P450 3A Q6GRK0_HUMAN Q6GRK0 1575524 O=C(c1c(F)cc(Br)cc1F)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21 787218 US12473262, Compound 638 Cytochrome P450 1A2 Homo sapiens 300 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787218 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2146&target=Cytochrome+P450+1A2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787218&enzyme=Cytochrome+P450+1A2&column=ki&startPg=0&Increment=50&submit=Search 164941871 523969963 1 MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKNPHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDGQSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELMAGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFPILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGNLIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLSDRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPELWEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLEFSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN 2HI4 Cytochrome P450 1A2 CP1A2_HUMAN P05177 Q16754 Q6NWU3 Q6NWU5 Q9BXX7 Q9UK49 1575525 O=C(c1c(F)cc(Br)cc1F)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21 787218 US12473262, Compound 638 Cytochrome P450 2C9 Homo sapiens 5200 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787218 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2128&target=Cytochrome+P450+2C9&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787218&enzyme=Cytochrome+P450+2C9&column=ki&startPg=0&Increment=50&submit=Search 164941871 523969963 1 MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV Cytochrome P450 2C9 CP2C9_HUMAN P11712 P11713 Q16756 Q16872 Q5VX92 Q6IRV8 Q8WW80 1575526 O=C(c1c(F)cc(Br)cc1F)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21 787218 US12473262, Compound 638 Cytochrome P450 2D6 Homo sapiens 14500 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787218 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=356&target=Cytochrome+P450+2D6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787218&enzyme=Cytochrome+P450+2D6&column=ki&startPg=0&Increment=50&submit=Search 164941871 523969963 1 MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR 6CSD,6CSB Cytochrome P450 2D6 CP2D6_HUMAN P10635 Q16752 Q2XND6 Q2XND7 Q2XNE0 Q6B012 Q6NXU8 Cytochrome P450 C1ID52_HUMAN C1ID52 1575527 O=C(c1c(F)cc(Br)cc1F)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21 787218 US12473262, Compound 638 Cytochrome P450 2B6 Homo sapiens 11600 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787218 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6685&target=Cytochrome+P450+2B6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787218&enzyme=Cytochrome+P450+2B6&column=ki&startPg=0&Increment=50&submit=Search 164941871 523969963 1 MELSVLLFLALLTGLLLLLVQRHPNTHDRLPPGPRPLPLLGNLLQMDRRGLLKSFLRFREKYGDVFTVHLGPRPVVMLCGVEAIREALVDKAEAFSGRGKIAMVDPFFRGYGVIFANGNRWKVLRRFSVTTMRDFGMGKRSVEERIQEEAQCLIEELRKSKGALMDPTFLFQSITANIICSIVFGKRFHYQDQEFLKMLNLFYQTFSLISSVFGQLFELFSGFLKYFPGAHRQVYKNLQEINAYIGHSVEKHRETLDPSAPKDLIDTYLLHMEKEKSNAHSEFSHQNLNLNTLSLFFAGTETTSTTLRYGFLLMLKYPHVAERVYREIEQVIGPHRPPELHDRAKMPYTEAVIYEIQRFSDLLPMGVPHIVTQHTSFRGYIIPKDTEVFLILSTALHDPHYFEKPDAFNPDHFLDANGALKKTEAFIPFSLGKRICLGEGIARAELFLFFTTILQNFSMASPVAPEDIDLTPQECGVGKIPPTYQIRFLPR Cytochrome P450 2B6 CP2B6_HUMAN P20813 B4DWP3 Q2V565 Q9UK46 1575528 O=C(c1c(F)cc(Br)cc1F)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21 787218 US12473262, Compound 638 Cytochrome P450 2C8 Homo sapiens 1800 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787218 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7129&target=Cytochrome+P450+2C8&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787218&enzyme=Cytochrome+P450+2C8&column=ki&startPg=0&Increment=50&submit=Search 164941871 523969963 1 MEPFVVLVLCLSFMLLFSLWRQSCRRRKLPPGPTPLPIIGNMLQIDVKDICKSFTNFSKVYGPVFTVYFGMNPIVVFHGYEAVKEALIDNGEEFSGRGNSPISQRITKGLGIISSNGKRWKEIRRFSLTTLRNFGMGKRSIEDRVQEEAHCLVEELRKTKASPCDPTFILGCAPCNVICSVVFQKRFDYKDQNFLTLMKRFNENFRILNSPWIQVCNNFPLLIDCFPGTHNKVLKNVALTRSYIREKVKEHQASLDVNNPRDFIDCFLIKMEQEKDNQKSEFNIENLVGTVADLFVAGTETTSTTLRYGLLLLLKHPEVTAKVQEEIDHVIGRHRSPCMQDRSHMPYTDAVVHEIQRYSDLVPTGVPHAVTTDTKFRNYLIPKGTTIMALLTSVLHDDKEFPNPNIFDPGHFLDKNGNFKKSDYFMPFSAGKRICAGEGLARMELFLFLTTILQNFNLKSVDDLKNLNTTAVTKGIVSLPPSYQICFIPV Cytochrome P450 2C8 CP2C8_HUMAN P10632 A8K9N8 B0AZN2 B7Z1F6 Q5VX93 Q8WWB1 Q9UCZ9 1575529 O=C(c1c(F)cc(Br)cc1F)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21 787218 US12473262, Compound 638 Cytochrome P450 2C19 Homo sapiens 3400 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787218 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2148&target=Cytochrome+P450+2C19&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787218&enzyme=Cytochrome+P450+2C19&column=ki&startPg=0&Increment=50&submit=Search 164941871 523969963 1 MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKIYGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFMESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYIDLIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFKKSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVPPFYQLCFIPV Cytochrome P450 2C19 CP2CJ_HUMAN P33261 P33259 Q8WZB1 Q8WZB2 Q9UCD4 1575530 O=C(c1c(F)cc(Br)cc1F)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21 787218 US12473262, Compound 638 Cytochrome P450 3A4 Homo sapiens 8100 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787218 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2127&target=Cytochrome+P450+3A4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787218&enzyme=Cytochrome+P450+3A4&column=ki&startPg=0&Increment=50&submit=Search 164941871 523969963 1 MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVSGA 7LXL,3NXU,2V0M,2J0D,1W0G,1W0F,1W0E,9GK1,4NY4 Cytochrome P450 3A4 CP3A4_HUMAN P08684 P05184 Q16757 Q9UK50 Cytochrome P450 3A Q6GRK0_HUMAN Q6GRK0 1575531 O=C(C1CCCCC1)n1c(-c2cccc3ccccc23)nc2ccc(Cl)cc21 787219 US12473262, Compound 640 Cytochrome P450 1A2 Homo sapiens 600 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787219 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2146&target=Cytochrome+P450+1A2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787219&enzyme=Cytochrome+P450+1A2&column=ki&startPg=0&Increment=50&submit=Search 164941924 523969964 1 MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKNPHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDGQSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELMAGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFPILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGNLIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLSDRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPELWEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLEFSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN 2HI4 Cytochrome P450 1A2 CP1A2_HUMAN P05177 Q16754 Q6NWU3 Q6NWU5 Q9BXX7 Q9UK49 1575532 O=C(C1CCCCC1)n1c(-c2cccc3ccccc23)nc2ccc(Cl)cc21 787219 US12473262, Compound 640 Cytochrome P450 2C9 Homo sapiens 4500 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787219 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2128&target=Cytochrome+P450+2C9&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787219&enzyme=Cytochrome+P450+2C9&column=ki&startPg=0&Increment=50&submit=Search 164941924 523969964 1 MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV Cytochrome P450 2C9 CP2C9_HUMAN P11712 P11713 Q16756 Q16872 Q5VX92 Q6IRV8 Q8WW80 1575533 O=C(C1CCCCC1)n1c(-c2cccc3ccccc23)nc2ccc(Cl)cc21 787219 US12473262, Compound 640 Cytochrome P450 2D6 Homo sapiens 29000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787219 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=356&target=Cytochrome+P450+2D6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787219&enzyme=Cytochrome+P450+2D6&column=ki&startPg=0&Increment=50&submit=Search 164941924 523969964 1 MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR 6CSD,6CSB Cytochrome P450 2D6 CP2D6_HUMAN P10635 Q16752 Q2XND6 Q2XND7 Q2XNE0 Q6B012 Q6NXU8 Cytochrome P450 C1ID52_HUMAN C1ID52 1575534 O=C(C1CCCCC1)n1c(-c2cccc3ccccc23)nc2ccc(Cl)cc21 787219 US12473262, Compound 640 Cytochrome P450 2B6 Homo sapiens 31100 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787219 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6685&target=Cytochrome+P450+2B6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787219&enzyme=Cytochrome+P450+2B6&column=ki&startPg=0&Increment=50&submit=Search 164941924 523969964 1 MELSVLLFLALLTGLLLLLVQRHPNTHDRLPPGPRPLPLLGNLLQMDRRGLLKSFLRFREKYGDVFTVHLGPRPVVMLCGVEAIREALVDKAEAFSGRGKIAMVDPFFRGYGVIFANGNRWKVLRRFSVTTMRDFGMGKRSVEERIQEEAQCLIEELRKSKGALMDPTFLFQSITANIICSIVFGKRFHYQDQEFLKMLNLFYQTFSLISSVFGQLFELFSGFLKYFPGAHRQVYKNLQEINAYIGHSVEKHRETLDPSAPKDLIDTYLLHMEKEKSNAHSEFSHQNLNLNTLSLFFAGTETTSTTLRYGFLLMLKYPHVAERVYREIEQVIGPHRPPELHDRAKMPYTEAVIYEIQRFSDLLPMGVPHIVTQHTSFRGYIIPKDTEVFLILSTALHDPHYFEKPDAFNPDHFLDANGALKKTEAFIPFSLGKRICLGEGIARAELFLFFTTILQNFSMASPVAPEDIDLTPQECGVGKIPPTYQIRFLPR Cytochrome P450 2B6 CP2B6_HUMAN P20813 B4DWP3 Q2V565 Q9UK46 1575535 O=C(C1CCCCC1)n1c(-c2cccc3ccccc23)nc2ccc(Cl)cc21 787219 US12473262, Compound 640 Cytochrome P450 2C8 Homo sapiens 2300 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787219 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7129&target=Cytochrome+P450+2C8&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787219&enzyme=Cytochrome+P450+2C8&column=ki&startPg=0&Increment=50&submit=Search 164941924 523969964 1 MEPFVVLVLCLSFMLLFSLWRQSCRRRKLPPGPTPLPIIGNMLQIDVKDICKSFTNFSKVYGPVFTVYFGMNPIVVFHGYEAVKEALIDNGEEFSGRGNSPISQRITKGLGIISSNGKRWKEIRRFSLTTLRNFGMGKRSIEDRVQEEAHCLVEELRKTKASPCDPTFILGCAPCNVICSVVFQKRFDYKDQNFLTLMKRFNENFRILNSPWIQVCNNFPLLIDCFPGTHNKVLKNVALTRSYIREKVKEHQASLDVNNPRDFIDCFLIKMEQEKDNQKSEFNIENLVGTVADLFVAGTETTSTTLRYGLLLLLKHPEVTAKVQEEIDHVIGRHRSPCMQDRSHMPYTDAVVHEIQRYSDLVPTGVPHAVTTDTKFRNYLIPKGTTIMALLTSVLHDDKEFPNPNIFDPGHFLDKNGNFKKSDYFMPFSAGKRICAGEGLARMELFLFLTTILQNFNLKSVDDLKNLNTTAVTKGIVSLPPSYQICFIPV Cytochrome P450 2C8 CP2C8_HUMAN P10632 A8K9N8 B0AZN2 B7Z1F6 Q5VX93 Q8WWB1 Q9UCZ9 1575536 O=C(C1CCCCC1)n1c(-c2cccc3ccccc23)nc2ccc(Cl)cc21 787219 US12473262, Compound 640 Cytochrome P450 2C19 Homo sapiens 2400 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787219 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2148&target=Cytochrome+P450+2C19&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787219&enzyme=Cytochrome+P450+2C19&column=ki&startPg=0&Increment=50&submit=Search 164941924 523969964 1 MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKIYGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFMESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYIDLIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFKKSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVPPFYQLCFIPV Cytochrome P450 2C19 CP2CJ_HUMAN P33261 P33259 Q8WZB1 Q8WZB2 Q9UCD4 1575537 O=C(C1CCCCC1)n1c(-c2cccc3ccccc23)nc2ccc(Cl)cc21 787219 US12473262, Compound 640 Cytochrome P450 3A4 Homo sapiens 3800 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787219 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2127&target=Cytochrome+P450+3A4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787219&enzyme=Cytochrome+P450+3A4&column=ki&startPg=0&Increment=50&submit=Search 164941924 523969964 1 MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVSGA 7LXL,3NXU,2V0M,2J0D,1W0G,1W0F,1W0E,9GK1,4NY4 Cytochrome P450 3A4 CP3A4_HUMAN P08684 P05184 Q16757 Q9UK50 Cytochrome P450 3A Q6GRK0_HUMAN Q6GRK0 1575538 O=C(c1ccc(F)c(F)c1)n1c(-c2ccc(-c3ccccc3)cc2)nc2cc(Cl)ccc21 787220 US12473262, Compound 643 Cytochrome P450 1A2 Homo sapiens 20700 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787220 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2146&target=Cytochrome+P450+1A2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787220&enzyme=Cytochrome+P450+1A2&column=ki&startPg=0&Increment=50&submit=Search 155599115 523969965 1 MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKNPHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDGQSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELMAGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFPILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGNLIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLSDRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPELWEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLEFSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN 2HI4 Cytochrome P450 1A2 CP1A2_HUMAN P05177 Q16754 Q6NWU3 Q6NWU5 Q9BXX7 Q9UK49 1575539 O=C(c1ccc(F)c(F)c1)n1c(-c2ccc(-c3ccccc3)cc2)nc2cc(Cl)ccc21 787220 US12473262, Compound 643 Cytochrome P450 2C9 Homo sapiens 9200 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787220 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2128&target=Cytochrome+P450+2C9&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787220&enzyme=Cytochrome+P450+2C9&column=ki&startPg=0&Increment=50&submit=Search 155599115 523969965 1 MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV Cytochrome P450 2C9 CP2C9_HUMAN P11712 P11713 Q16756 Q16872 Q5VX92 Q6IRV8 Q8WW80 1575540 O=C(c1ccc(F)c(F)c1)n1c(-c2ccc(-c3ccccc3)cc2)nc2cc(Cl)ccc21 787220 US12473262, Compound 643 Cytochrome P450 2D6 Homo sapiens >50000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787220 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=356&target=Cytochrome+P450+2D6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787220&enzyme=Cytochrome+P450+2D6&column=ki&startPg=0&Increment=50&submit=Search 155599115 523969965 1 MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR 6CSD,6CSB Cytochrome P450 2D6 CP2D6_HUMAN P10635 Q16752 Q2XND6 Q2XND7 Q2XNE0 Q6B012 Q6NXU8 Cytochrome P450 C1ID52_HUMAN C1ID52 1575541 O=C(c1ccc(F)c(F)c1)n1c(-c2ccc(-c3ccccc3)cc2)nc2cc(Cl)ccc21 787220 US12473262, Compound 643 Cytochrome P450 2B6 Homo sapiens >50000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787220 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6685&target=Cytochrome+P450+2B6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787220&enzyme=Cytochrome+P450+2B6&column=ki&startPg=0&Increment=50&submit=Search 155599115 523969965 1 MELSVLLFLALLTGLLLLLVQRHPNTHDRLPPGPRPLPLLGNLLQMDRRGLLKSFLRFREKYGDVFTVHLGPRPVVMLCGVEAIREALVDKAEAFSGRGKIAMVDPFFRGYGVIFANGNRWKVLRRFSVTTMRDFGMGKRSVEERIQEEAQCLIEELRKSKGALMDPTFLFQSITANIICSIVFGKRFHYQDQEFLKMLNLFYQTFSLISSVFGQLFELFSGFLKYFPGAHRQVYKNLQEINAYIGHSVEKHRETLDPSAPKDLIDTYLLHMEKEKSNAHSEFSHQNLNLNTLSLFFAGTETTSTTLRYGFLLMLKYPHVAERVYREIEQVIGPHRPPELHDRAKMPYTEAVIYEIQRFSDLLPMGVPHIVTQHTSFRGYIIPKDTEVFLILSTALHDPHYFEKPDAFNPDHFLDANGALKKTEAFIPFSLGKRICLGEGIARAELFLFFTTILQNFSMASPVAPEDIDLTPQECGVGKIPPTYQIRFLPR Cytochrome P450 2B6 CP2B6_HUMAN P20813 B4DWP3 Q2V565 Q9UK46 1575542 O=C(c1ccc(F)c(F)c1)n1c(-c2ccc(-c3ccccc3)cc2)nc2cc(Cl)ccc21 787220 US12473262, Compound 643 Cytochrome P450 2C8 Homo sapiens 12300 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787220 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7129&target=Cytochrome+P450+2C8&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787220&enzyme=Cytochrome+P450+2C8&column=ki&startPg=0&Increment=50&submit=Search 155599115 523969965 1 MEPFVVLVLCLSFMLLFSLWRQSCRRRKLPPGPTPLPIIGNMLQIDVKDICKSFTNFSKVYGPVFTVYFGMNPIVVFHGYEAVKEALIDNGEEFSGRGNSPISQRITKGLGIISSNGKRWKEIRRFSLTTLRNFGMGKRSIEDRVQEEAHCLVEELRKTKASPCDPTFILGCAPCNVICSVVFQKRFDYKDQNFLTLMKRFNENFRILNSPWIQVCNNFPLLIDCFPGTHNKVLKNVALTRSYIREKVKEHQASLDVNNPRDFIDCFLIKMEQEKDNQKSEFNIENLVGTVADLFVAGTETTSTTLRYGLLLLLKHPEVTAKVQEEIDHVIGRHRSPCMQDRSHMPYTDAVVHEIQRYSDLVPTGVPHAVTTDTKFRNYLIPKGTTIMALLTSVLHDDKEFPNPNIFDPGHFLDKNGNFKKSDYFMPFSAGKRICAGEGLARMELFLFLTTILQNFNLKSVDDLKNLNTTAVTKGIVSLPPSYQICFIPV Cytochrome P450 2C8 CP2C8_HUMAN P10632 A8K9N8 B0AZN2 B7Z1F6 Q5VX93 Q8WWB1 Q9UCZ9 1575543 O=C(c1ccc(F)c(F)c1)n1c(-c2ccc(-c3ccccc3)cc2)nc2cc(Cl)ccc21 787220 US12473262, Compound 643 Cytochrome P450 2C19 Homo sapiens >50000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787220 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2148&target=Cytochrome+P450+2C19&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787220&enzyme=Cytochrome+P450+2C19&column=ki&startPg=0&Increment=50&submit=Search 155599115 523969965 1 MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKIYGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFMESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYIDLIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFKKSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVPPFYQLCFIPV Cytochrome P450 2C19 CP2CJ_HUMAN P33261 P33259 Q8WZB1 Q8WZB2 Q9UCD4 1575544 O=C(c1ccc(F)c(F)c1)n1c(-c2ccc(-c3ccccc3)cc2)nc2cc(Cl)ccc21 787220 US12473262, Compound 643 Cytochrome P450 3A4 Homo sapiens >50000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787220 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2127&target=Cytochrome+P450+3A4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787220&enzyme=Cytochrome+P450+3A4&column=ki&startPg=0&Increment=50&submit=Search 155599115 523969965 1 MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVSGA 7LXL,3NXU,2V0M,2J0D,1W0G,1W0F,1W0E,9GK1,4NY4 Cytochrome P450 3A4 CP3A4_HUMAN P08684 P05184 Q16757 Q9UK50 Cytochrome P450 3A Q6GRK0_HUMAN Q6GRK0 1575545 O=C(c1ccc(F)c(F)c1)n1c(-c2ccc(-c3ccccc3)cc2)nc2ccc(Cl)cc21 787221 US12473262, Compound 644 Cytochrome P450 1A2 Homo sapiens 4700 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787221 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2146&target=Cytochrome+P450+1A2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787221&enzyme=Cytochrome+P450+1A2&column=ki&startPg=0&Increment=50&submit=Search 156055440 523969966 1 MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKNPHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDGQSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELMAGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFPILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGNLIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLSDRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPELWEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLEFSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN 2HI4 Cytochrome P450 1A2 CP1A2_HUMAN P05177 Q16754 Q6NWU3 Q6NWU5 Q9BXX7 Q9UK49 1575546 O=C(c1ccc(F)c(F)c1)n1c(-c2ccc(-c3ccccc3)cc2)nc2ccc(Cl)cc21 787221 US12473262, Compound 644 Cytochrome P450 2C9 Homo sapiens 2700 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787221 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2128&target=Cytochrome+P450+2C9&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787221&enzyme=Cytochrome+P450+2C9&column=ki&startPg=0&Increment=50&submit=Search 156055440 523969966 1 MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV Cytochrome P450 2C9 CP2C9_HUMAN P11712 P11713 Q16756 Q16872 Q5VX92 Q6IRV8 Q8WW80 1575547 O=C(c1ccc(F)c(F)c1)n1c(-c2ccc(-c3ccccc3)cc2)nc2ccc(Cl)cc21 787221 US12473262, Compound 644 Cytochrome P450 2D6 Homo sapiens 8200 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787221 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=356&target=Cytochrome+P450+2D6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787221&enzyme=Cytochrome+P450+2D6&column=ki&startPg=0&Increment=50&submit=Search 156055440 523969966 1 MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR 6CSD,6CSB Cytochrome P450 2D6 CP2D6_HUMAN P10635 Q16752 Q2XND6 Q2XND7 Q2XNE0 Q6B012 Q6NXU8 Cytochrome P450 C1ID52_HUMAN C1ID52 1575548 O=C(c1ccc(F)c(F)c1)n1c(-c2ccc(-c3ccccc3)cc2)nc2ccc(Cl)cc21 787221 US12473262, Compound 644 Cytochrome P450 2B6 Homo sapiens >50000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787221 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6685&target=Cytochrome+P450+2B6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787221&enzyme=Cytochrome+P450+2B6&column=ki&startPg=0&Increment=50&submit=Search 156055440 523969966 1 MELSVLLFLALLTGLLLLLVQRHPNTHDRLPPGPRPLPLLGNLLQMDRRGLLKSFLRFREKYGDVFTVHLGPRPVVMLCGVEAIREALVDKAEAFSGRGKIAMVDPFFRGYGVIFANGNRWKVLRRFSVTTMRDFGMGKRSVEERIQEEAQCLIEELRKSKGALMDPTFLFQSITANIICSIVFGKRFHYQDQEFLKMLNLFYQTFSLISSVFGQLFELFSGFLKYFPGAHRQVYKNLQEINAYIGHSVEKHRETLDPSAPKDLIDTYLLHMEKEKSNAHSEFSHQNLNLNTLSLFFAGTETTSTTLRYGFLLMLKYPHVAERVYREIEQVIGPHRPPELHDRAKMPYTEAVIYEIQRFSDLLPMGVPHIVTQHTSFRGYIIPKDTEVFLILSTALHDPHYFEKPDAFNPDHFLDANGALKKTEAFIPFSLGKRICLGEGIARAELFLFFTTILQNFSMASPVAPEDIDLTPQECGVGKIPPTYQIRFLPR Cytochrome P450 2B6 CP2B6_HUMAN P20813 B4DWP3 Q2V565 Q9UK46 1575549 O=C(c1ccc(F)c(F)c1)n1c(-c2ccc(-c3ccccc3)cc2)nc2ccc(Cl)cc21 787221 US12473262, Compound 644 Cytochrome P450 2C8 Homo sapiens 1700 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787221 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7129&target=Cytochrome+P450+2C8&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787221&enzyme=Cytochrome+P450+2C8&column=ki&startPg=0&Increment=50&submit=Search 156055440 523969966 1 MEPFVVLVLCLSFMLLFSLWRQSCRRRKLPPGPTPLPIIGNMLQIDVKDICKSFTNFSKVYGPVFTVYFGMNPIVVFHGYEAVKEALIDNGEEFSGRGNSPISQRITKGLGIISSNGKRWKEIRRFSLTTLRNFGMGKRSIEDRVQEEAHCLVEELRKTKASPCDPTFILGCAPCNVICSVVFQKRFDYKDQNFLTLMKRFNENFRILNSPWIQVCNNFPLLIDCFPGTHNKVLKNVALTRSYIREKVKEHQASLDVNNPRDFIDCFLIKMEQEKDNQKSEFNIENLVGTVADLFVAGTETTSTTLRYGLLLLLKHPEVTAKVQEEIDHVIGRHRSPCMQDRSHMPYTDAVVHEIQRYSDLVPTGVPHAVTTDTKFRNYLIPKGTTIMALLTSVLHDDKEFPNPNIFDPGHFLDKNGNFKKSDYFMPFSAGKRICAGEGLARMELFLFLTTILQNFNLKSVDDLKNLNTTAVTKGIVSLPPSYQICFIPV Cytochrome P450 2C8 CP2C8_HUMAN P10632 A8K9N8 B0AZN2 B7Z1F6 Q5VX93 Q8WWB1 Q9UCZ9 1575550 O=C(c1ccc(F)c(F)c1)n1c(-c2ccc(-c3ccccc3)cc2)nc2ccc(Cl)cc21 787221 US12473262, Compound 644 Cytochrome P450 2C19 Homo sapiens >50000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787221 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2148&target=Cytochrome+P450+2C19&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787221&enzyme=Cytochrome+P450+2C19&column=ki&startPg=0&Increment=50&submit=Search 156055440 523969966 1 MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKIYGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFMESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYIDLIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFKKSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVPPFYQLCFIPV Cytochrome P450 2C19 CP2CJ_HUMAN P33261 P33259 Q8WZB1 Q8WZB2 Q9UCD4 1575551 O=C(c1ccc(F)c(F)c1)n1c(-c2ccc(-c3ccccc3)cc2)nc2ccc(Cl)cc21 787221 US12473262, Compound 644 Cytochrome P450 3A4 Homo sapiens >50000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787221 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2127&target=Cytochrome+P450+3A4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787221&enzyme=Cytochrome+P450+3A4&column=ki&startPg=0&Increment=50&submit=Search 156055440 523969966 1 MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVSGA 7LXL,3NXU,2V0M,2J0D,1W0G,1W0F,1W0E,9GK1,4NY4 Cytochrome P450 3A4 CP3A4_HUMAN P08684 P05184 Q16757 Q9UK50 Cytochrome P450 3A Q6GRK0_HUMAN Q6GRK0 1575552 O=C(c1ccccc1)n1c(-c2cccc3ccccc23)nc2cc(Cl)c(Cl)cc21 787222 US12473262, Compound 693 Cytochrome P450 1A2 Homo sapiens 8600 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787222 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2146&target=Cytochrome+P450+1A2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787222&enzyme=Cytochrome+P450+1A2&column=ki&startPg=0&Increment=50&submit=Search 156055481 523969967 1 MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKNPHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDGQSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELMAGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFPILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGNLIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLSDRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPELWEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLEFSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN 2HI4 Cytochrome P450 1A2 CP1A2_HUMAN P05177 Q16754 Q6NWU3 Q6NWU5 Q9BXX7 Q9UK49 1575553 O=C(c1ccccc1)n1c(-c2cccc3ccccc23)nc2cc(Cl)c(Cl)cc21 787222 US12473262, Compound 693 Cytochrome P450 2C9 Homo sapiens 11600 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787222 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2128&target=Cytochrome+P450+2C9&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787222&enzyme=Cytochrome+P450+2C9&column=ki&startPg=0&Increment=50&submit=Search 156055481 523969967 1 MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV Cytochrome P450 2C9 CP2C9_HUMAN P11712 P11713 Q16756 Q16872 Q5VX92 Q6IRV8 Q8WW80 1575554 O=C(c1ccccc1)n1c(-c2cccc3ccccc23)nc2cc(Cl)c(Cl)cc21 787222 US12473262, Compound 693 Cytochrome P450 2D6 Homo sapiens >50000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787222 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=356&target=Cytochrome+P450+2D6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787222&enzyme=Cytochrome+P450+2D6&column=ki&startPg=0&Increment=50&submit=Search 156055481 523969967 1 MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR 6CSD,6CSB Cytochrome P450 2D6 CP2D6_HUMAN P10635 Q16752 Q2XND6 Q2XND7 Q2XNE0 Q6B012 Q6NXU8 Cytochrome P450 C1ID52_HUMAN C1ID52 1575555 O=C(c1ccccc1)n1c(-c2cccc3ccccc23)nc2cc(Cl)c(Cl)cc21 787222 US12473262, Compound 693 Cytochrome P450 2B6 Homo sapiens >50000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787222 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6685&target=Cytochrome+P450+2B6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787222&enzyme=Cytochrome+P450+2B6&column=ki&startPg=0&Increment=50&submit=Search 156055481 523969967 1 MELSVLLFLALLTGLLLLLVQRHPNTHDRLPPGPRPLPLLGNLLQMDRRGLLKSFLRFREKYGDVFTVHLGPRPVVMLCGVEAIREALVDKAEAFSGRGKIAMVDPFFRGYGVIFANGNRWKVLRRFSVTTMRDFGMGKRSVEERIQEEAQCLIEELRKSKGALMDPTFLFQSITANIICSIVFGKRFHYQDQEFLKMLNLFYQTFSLISSVFGQLFELFSGFLKYFPGAHRQVYKNLQEINAYIGHSVEKHRETLDPSAPKDLIDTYLLHMEKEKSNAHSEFSHQNLNLNTLSLFFAGTETTSTTLRYGFLLMLKYPHVAERVYREIEQVIGPHRPPELHDRAKMPYTEAVIYEIQRFSDLLPMGVPHIVTQHTSFRGYIIPKDTEVFLILSTALHDPHYFEKPDAFNPDHFLDANGALKKTEAFIPFSLGKRICLGEGIARAELFLFFTTILQNFSMASPVAPEDIDLTPQECGVGKIPPTYQIRFLPR Cytochrome P450 2B6 CP2B6_HUMAN P20813 B4DWP3 Q2V565 Q9UK46 1575556 O=C(c1ccccc1)n1c(-c2cccc3ccccc23)nc2cc(Cl)c(Cl)cc21 787222 US12473262, Compound 693 Cytochrome P450 2C8 Homo sapiens 3500 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787222 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7129&target=Cytochrome+P450+2C8&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787222&enzyme=Cytochrome+P450+2C8&column=ki&startPg=0&Increment=50&submit=Search 156055481 523969967 1 MEPFVVLVLCLSFMLLFSLWRQSCRRRKLPPGPTPLPIIGNMLQIDVKDICKSFTNFSKVYGPVFTVYFGMNPIVVFHGYEAVKEALIDNGEEFSGRGNSPISQRITKGLGIISSNGKRWKEIRRFSLTTLRNFGMGKRSIEDRVQEEAHCLVEELRKTKASPCDPTFILGCAPCNVICSVVFQKRFDYKDQNFLTLMKRFNENFRILNSPWIQVCNNFPLLIDCFPGTHNKVLKNVALTRSYIREKVKEHQASLDVNNPRDFIDCFLIKMEQEKDNQKSEFNIENLVGTVADLFVAGTETTSTTLRYGLLLLLKHPEVTAKVQEEIDHVIGRHRSPCMQDRSHMPYTDAVVHEIQRYSDLVPTGVPHAVTTDTKFRNYLIPKGTTIMALLTSVLHDDKEFPNPNIFDPGHFLDKNGNFKKSDYFMPFSAGKRICAGEGLARMELFLFLTTILQNFNLKSVDDLKNLNTTAVTKGIVSLPPSYQICFIPV Cytochrome P450 2C8 CP2C8_HUMAN P10632 A8K9N8 B0AZN2 B7Z1F6 Q5VX93 Q8WWB1 Q9UCZ9 1575557 O=C(c1ccccc1)n1c(-c2cccc3ccccc23)nc2cc(Cl)c(Cl)cc21 787222 US12473262, Compound 693 Cytochrome P450 2C19 Homo sapiens 24100 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787222 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2148&target=Cytochrome+P450+2C19&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787222&enzyme=Cytochrome+P450+2C19&column=ki&startPg=0&Increment=50&submit=Search 156055481 523969967 1 MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKIYGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFMESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYIDLIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFKKSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVPPFYQLCFIPV Cytochrome P450 2C19 CP2CJ_HUMAN P33261 P33259 Q8WZB1 Q8WZB2 Q9UCD4 1575558 O=C(c1ccccc1)n1c(-c2cccc3ccccc23)nc2cc(Cl)c(Cl)cc21 787222 US12473262, Compound 693 Cytochrome P450 3A4 Homo sapiens 2000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787222 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2127&target=Cytochrome+P450+3A4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787222&enzyme=Cytochrome+P450+3A4&column=ki&startPg=0&Increment=50&submit=Search 156055481 523969967 1 MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVSGA 7LXL,3NXU,2V0M,2J0D,1W0G,1W0F,1W0E,9GK1,4NY4 Cytochrome P450 3A4 CP3A4_HUMAN P08684 P05184 Q16757 Q9UK50 Cytochrome P450 3A Q6GRK0_HUMAN Q6GRK0 1575559 O=C(c1ccccc1)n1c(-c2cccc3ccccc23)nc2cc(OC(F)(F)F)ccc21 787223 US12473262, Compound 703 Cytochrome P450 1A2 Homo sapiens 800 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787223 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2146&target=Cytochrome+P450+1A2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787223&enzyme=Cytochrome+P450+1A2&column=ki&startPg=0&Increment=50&submit=Search 155598942 523969968 1 MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKNPHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDGQSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELMAGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFPILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGNLIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLSDRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPELWEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLEFSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN 2HI4 Cytochrome P450 1A2 CP1A2_HUMAN P05177 Q16754 Q6NWU3 Q6NWU5 Q9BXX7 Q9UK49 1575560 O=C(c1ccccc1)n1c(-c2cccc3ccccc23)nc2cc(OC(F)(F)F)ccc21 787223 US12473262, Compound 703 Cytochrome P450 2C9 Homo sapiens 5300 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787223 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2128&target=Cytochrome+P450+2C9&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787223&enzyme=Cytochrome+P450+2C9&column=ki&startPg=0&Increment=50&submit=Search 155598942 523969968 1 MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV Cytochrome P450 2C9 CP2C9_HUMAN P11712 P11713 Q16756 Q16872 Q5VX92 Q6IRV8 Q8WW80 1575561 O=C(c1ccccc1)n1c(-c2cccc3ccccc23)nc2cc(OC(F)(F)F)ccc21 787223 US12473262, Compound 703 Cytochrome P450 2D6 Homo sapiens >50000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787223 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=356&target=Cytochrome+P450+2D6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787223&enzyme=Cytochrome+P450+2D6&column=ki&startPg=0&Increment=50&submit=Search 155598942 523969968 1 MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR 6CSD,6CSB Cytochrome P450 2D6 CP2D6_HUMAN P10635 Q16752 Q2XND6 Q2XND7 Q2XNE0 Q6B012 Q6NXU8 Cytochrome P450 C1ID52_HUMAN C1ID52 1575562 O=C(c1ccccc1)n1c(-c2cccc3ccccc23)nc2cc(OC(F)(F)F)ccc21 787223 US12473262, Compound 703 Cytochrome P450 2B6 Homo sapiens 12000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787223 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6685&target=Cytochrome+P450+2B6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787223&enzyme=Cytochrome+P450+2B6&column=ki&startPg=0&Increment=50&submit=Search 155598942 523969968 1 MELSVLLFLALLTGLLLLLVQRHPNTHDRLPPGPRPLPLLGNLLQMDRRGLLKSFLRFREKYGDVFTVHLGPRPVVMLCGVEAIREALVDKAEAFSGRGKIAMVDPFFRGYGVIFANGNRWKVLRRFSVTTMRDFGMGKRSVEERIQEEAQCLIEELRKSKGALMDPTFLFQSITANIICSIVFGKRFHYQDQEFLKMLNLFYQTFSLISSVFGQLFELFSGFLKYFPGAHRQVYKNLQEINAYIGHSVEKHRETLDPSAPKDLIDTYLLHMEKEKSNAHSEFSHQNLNLNTLSLFFAGTETTSTTLRYGFLLMLKYPHVAERVYREIEQVIGPHRPPELHDRAKMPYTEAVIYEIQRFSDLLPMGVPHIVTQHTSFRGYIIPKDTEVFLILSTALHDPHYFEKPDAFNPDHFLDANGALKKTEAFIPFSLGKRICLGEGIARAELFLFFTTILQNFSMASPVAPEDIDLTPQECGVGKIPPTYQIRFLPR Cytochrome P450 2B6 CP2B6_HUMAN P20813 B4DWP3 Q2V565 Q9UK46 1575563 O=C(c1ccccc1)n1c(-c2cccc3ccccc23)nc2cc(OC(F)(F)F)ccc21 787223 US12473262, Compound 703 Cytochrome P450 2C8 Homo sapiens 4200 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787223 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7129&target=Cytochrome+P450+2C8&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787223&enzyme=Cytochrome+P450+2C8&column=ki&startPg=0&Increment=50&submit=Search 155598942 523969968 1 MEPFVVLVLCLSFMLLFSLWRQSCRRRKLPPGPTPLPIIGNMLQIDVKDICKSFTNFSKVYGPVFTVYFGMNPIVVFHGYEAVKEALIDNGEEFSGRGNSPISQRITKGLGIISSNGKRWKEIRRFSLTTLRNFGMGKRSIEDRVQEEAHCLVEELRKTKASPCDPTFILGCAPCNVICSVVFQKRFDYKDQNFLTLMKRFNENFRILNSPWIQVCNNFPLLIDCFPGTHNKVLKNVALTRSYIREKVKEHQASLDVNNPRDFIDCFLIKMEQEKDNQKSEFNIENLVGTVADLFVAGTETTSTTLRYGLLLLLKHPEVTAKVQEEIDHVIGRHRSPCMQDRSHMPYTDAVVHEIQRYSDLVPTGVPHAVTTDTKFRNYLIPKGTTIMALLTSVLHDDKEFPNPNIFDPGHFLDKNGNFKKSDYFMPFSAGKRICAGEGLARMELFLFLTTILQNFNLKSVDDLKNLNTTAVTKGIVSLPPSYQICFIPV Cytochrome P450 2C8 CP2C8_HUMAN P10632 A8K9N8 B0AZN2 B7Z1F6 Q5VX93 Q8WWB1 Q9UCZ9 1575564 O=C(c1ccccc1)n1c(-c2cccc3ccccc23)nc2cc(OC(F)(F)F)ccc21 787223 US12473262, Compound 703 Cytochrome P450 2C19 Homo sapiens 500 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787223 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2148&target=Cytochrome+P450+2C19&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787223&enzyme=Cytochrome+P450+2C19&column=ki&startPg=0&Increment=50&submit=Search 155598942 523969968 1 MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKIYGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFMESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYIDLIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFKKSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVPPFYQLCFIPV Cytochrome P450 2C19 CP2CJ_HUMAN P33261 P33259 Q8WZB1 Q8WZB2 Q9UCD4 1575565 O=C(c1ccccc1)n1c(-c2cccc3ccccc23)nc2cc(OC(F)(F)F)ccc21 787223 US12473262, Compound 703 Cytochrome P450 3A4 Homo sapiens 10300 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787223 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2127&target=Cytochrome+P450+3A4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787223&enzyme=Cytochrome+P450+3A4&column=ki&startPg=0&Increment=50&submit=Search 155598942 523969968 1 MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVSGA 7LXL,3NXU,2V0M,2J0D,1W0G,1W0F,1W0E,9GK1,4NY4 Cytochrome P450 3A4 CP3A4_HUMAN P08684 P05184 Q16757 Q9UK50 Cytochrome P450 3A Q6GRK0_HUMAN Q6GRK0 1575566 O=C(c1cccc2ccccc12)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21 787224 US12473262, Compound 704 Cytochrome P450 1A2 Homo sapiens 1200 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787224 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2146&target=Cytochrome+P450+1A2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787224&enzyme=Cytochrome+P450+1A2&column=ki&startPg=0&Increment=50&submit=Search 155599111 523969969 1 MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKNPHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDGQSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELMAGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFPILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGNLIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLSDRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPELWEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLEFSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN 2HI4 Cytochrome P450 1A2 CP1A2_HUMAN P05177 Q16754 Q6NWU3 Q6NWU5 Q9BXX7 Q9UK49 1575567 O=C(c1cccc2ccccc12)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21 787224 US12473262, Compound 704 Cytochrome P450 2C9 Homo sapiens 8900 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787224 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2128&target=Cytochrome+P450+2C9&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787224&enzyme=Cytochrome+P450+2C9&column=ki&startPg=0&Increment=50&submit=Search 155599111 523969969 1 MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV Cytochrome P450 2C9 CP2C9_HUMAN P11712 P11713 Q16756 Q16872 Q5VX92 Q6IRV8 Q8WW80 1575568 O=C(c1cccc2ccccc12)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21 787224 US12473262, Compound 704 Cytochrome P450 2D6 Homo sapiens >50000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787224 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=356&target=Cytochrome+P450+2D6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787224&enzyme=Cytochrome+P450+2D6&column=ki&startPg=0&Increment=50&submit=Search 155599111 523969969 1 MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR 6CSD,6CSB Cytochrome P450 2D6 CP2D6_HUMAN P10635 Q16752 Q2XND6 Q2XND7 Q2XNE0 Q6B012 Q6NXU8 Cytochrome P450 C1ID52_HUMAN C1ID52 1575569 O=C(c1cccc2ccccc12)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21 787224 US12473262, Compound 704 Cytochrome P450 2B6 Homo sapiens 8200 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787224 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6685&target=Cytochrome+P450+2B6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787224&enzyme=Cytochrome+P450+2B6&column=ki&startPg=0&Increment=50&submit=Search 155599111 523969969 1 MELSVLLFLALLTGLLLLLVQRHPNTHDRLPPGPRPLPLLGNLLQMDRRGLLKSFLRFREKYGDVFTVHLGPRPVVMLCGVEAIREALVDKAEAFSGRGKIAMVDPFFRGYGVIFANGNRWKVLRRFSVTTMRDFGMGKRSVEERIQEEAQCLIEELRKSKGALMDPTFLFQSITANIICSIVFGKRFHYQDQEFLKMLNLFYQTFSLISSVFGQLFELFSGFLKYFPGAHRQVYKNLQEINAYIGHSVEKHRETLDPSAPKDLIDTYLLHMEKEKSNAHSEFSHQNLNLNTLSLFFAGTETTSTTLRYGFLLMLKYPHVAERVYREIEQVIGPHRPPELHDRAKMPYTEAVIYEIQRFSDLLPMGVPHIVTQHTSFRGYIIPKDTEVFLILSTALHDPHYFEKPDAFNPDHFLDANGALKKTEAFIPFSLGKRICLGEGIARAELFLFFTTILQNFSMASPVAPEDIDLTPQECGVGKIPPTYQIRFLPR Cytochrome P450 2B6 CP2B6_HUMAN P20813 B4DWP3 Q2V565 Q9UK46 1575570 O=C(c1cccc2ccccc12)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21 787224 US12473262, Compound 704 Cytochrome P450 2C8 Homo sapiens 5600 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787224 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7129&target=Cytochrome+P450+2C8&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787224&enzyme=Cytochrome+P450+2C8&column=ki&startPg=0&Increment=50&submit=Search 155599111 523969969 1 MEPFVVLVLCLSFMLLFSLWRQSCRRRKLPPGPTPLPIIGNMLQIDVKDICKSFTNFSKVYGPVFTVYFGMNPIVVFHGYEAVKEALIDNGEEFSGRGNSPISQRITKGLGIISSNGKRWKEIRRFSLTTLRNFGMGKRSIEDRVQEEAHCLVEELRKTKASPCDPTFILGCAPCNVICSVVFQKRFDYKDQNFLTLMKRFNENFRILNSPWIQVCNNFPLLIDCFPGTHNKVLKNVALTRSYIREKVKEHQASLDVNNPRDFIDCFLIKMEQEKDNQKSEFNIENLVGTVADLFVAGTETTSTTLRYGLLLLLKHPEVTAKVQEEIDHVIGRHRSPCMQDRSHMPYTDAVVHEIQRYSDLVPTGVPHAVTTDTKFRNYLIPKGTTIMALLTSVLHDDKEFPNPNIFDPGHFLDKNGNFKKSDYFMPFSAGKRICAGEGLARMELFLFLTTILQNFNLKSVDDLKNLNTTAVTKGIVSLPPSYQICFIPV Cytochrome P450 2C8 CP2C8_HUMAN P10632 A8K9N8 B0AZN2 B7Z1F6 Q5VX93 Q8WWB1 Q9UCZ9 1575571 O=C(c1cccc2ccccc12)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21 787224 US12473262, Compound 704 Cytochrome P450 2C19 Homo sapiens 4600 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787224 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2148&target=Cytochrome+P450+2C19&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787224&enzyme=Cytochrome+P450+2C19&column=ki&startPg=0&Increment=50&submit=Search 155599111 523969969 1 MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKIYGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFMESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYIDLIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFKKSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVPPFYQLCFIPV Cytochrome P450 2C19 CP2CJ_HUMAN P33261 P33259 Q8WZB1 Q8WZB2 Q9UCD4 1575572 O=C(c1cccc2ccccc12)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21 787224 US12473262, Compound 704 Cytochrome P450 3A4 Homo sapiens 3900 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787224 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2127&target=Cytochrome+P450+3A4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787224&enzyme=Cytochrome+P450+3A4&column=ki&startPg=0&Increment=50&submit=Search 155599111 523969969 1 MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVSGA 7LXL,3NXU,2V0M,2J0D,1W0G,1W0F,1W0E,9GK1,4NY4 Cytochrome P450 3A4 CP3A4_HUMAN P08684 P05184 Q16757 Q9UK50 Cytochrome P450 3A Q6GRK0_HUMAN Q6GRK0 1575573 O=S(=O)(c1ccc(C(F)(F)F)cc1)n1c(-c2cccc3ccccc23)nc2ccc(Cl)cc21 787225 US12473262, Compound 782 Cytochrome P450 1A2 Homo sapiens 47900 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787225 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2146&target=Cytochrome+P450+1A2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787225&enzyme=Cytochrome+P450+1A2&column=ki&startPg=0&Increment=50&submit=Search 155598868 523969970 1 MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKNPHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDGQSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELMAGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFPILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGNLIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLSDRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPELWEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLEFSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN 2HI4 Cytochrome P450 1A2 CP1A2_HUMAN P05177 Q16754 Q6NWU3 Q6NWU5 Q9BXX7 Q9UK49 1575574 O=S(=O)(c1ccc(C(F)(F)F)cc1)n1c(-c2cccc3ccccc23)nc2ccc(Cl)cc21 787225 US12473262, Compound 782 Cytochrome P450 2C9 Homo sapiens >50000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787225 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2128&target=Cytochrome+P450+2C9&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787225&enzyme=Cytochrome+P450+2C9&column=ki&startPg=0&Increment=50&submit=Search 155598868 523969970 1 MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV Cytochrome P450 2C9 CP2C9_HUMAN P11712 P11713 Q16756 Q16872 Q5VX92 Q6IRV8 Q8WW80 1575575 O=S(=O)(c1ccc(C(F)(F)F)cc1)n1c(-c2cccc3ccccc23)nc2ccc(Cl)cc21 787225 US12473262, Compound 782 Cytochrome P450 2D6 Homo sapiens >50000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787225 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=356&target=Cytochrome+P450+2D6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787225&enzyme=Cytochrome+P450+2D6&column=ki&startPg=0&Increment=50&submit=Search 155598868 523969970 1 MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR 6CSD,6CSB Cytochrome P450 2D6 CP2D6_HUMAN P10635 Q16752 Q2XND6 Q2XND7 Q2XNE0 Q6B012 Q6NXU8 Cytochrome P450 C1ID52_HUMAN C1ID52 1575576 O=S(=O)(c1ccc(C(F)(F)F)cc1)n1c(-c2cccc3ccccc23)nc2ccc(Cl)cc21 787225 US12473262, Compound 782 Cytochrome P450 2B6 Homo sapiens >50000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787225 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6685&target=Cytochrome+P450+2B6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787225&enzyme=Cytochrome+P450+2B6&column=ki&startPg=0&Increment=50&submit=Search 155598868 523969970 1 MELSVLLFLALLTGLLLLLVQRHPNTHDRLPPGPRPLPLLGNLLQMDRRGLLKSFLRFREKYGDVFTVHLGPRPVVMLCGVEAIREALVDKAEAFSGRGKIAMVDPFFRGYGVIFANGNRWKVLRRFSVTTMRDFGMGKRSVEERIQEEAQCLIEELRKSKGALMDPTFLFQSITANIICSIVFGKRFHYQDQEFLKMLNLFYQTFSLISSVFGQLFELFSGFLKYFPGAHRQVYKNLQEINAYIGHSVEKHRETLDPSAPKDLIDTYLLHMEKEKSNAHSEFSHQNLNLNTLSLFFAGTETTSTTLRYGFLLMLKYPHVAERVYREIEQVIGPHRPPELHDRAKMPYTEAVIYEIQRFSDLLPMGVPHIVTQHTSFRGYIIPKDTEVFLILSTALHDPHYFEKPDAFNPDHFLDANGALKKTEAFIPFSLGKRICLGEGIARAELFLFFTTILQNFSMASPVAPEDIDLTPQECGVGKIPPTYQIRFLPR Cytochrome P450 2B6 CP2B6_HUMAN P20813 B4DWP3 Q2V565 Q9UK46 1575577 O=S(=O)(c1ccc(C(F)(F)F)cc1)n1c(-c2cccc3ccccc23)nc2ccc(Cl)cc21 787225 US12473262, Compound 782 Cytochrome P450 2C8 Homo sapiens >50000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787225 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7129&target=Cytochrome+P450+2C8&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787225&enzyme=Cytochrome+P450+2C8&column=ki&startPg=0&Increment=50&submit=Search 155598868 523969970 1 MEPFVVLVLCLSFMLLFSLWRQSCRRRKLPPGPTPLPIIGNMLQIDVKDICKSFTNFSKVYGPVFTVYFGMNPIVVFHGYEAVKEALIDNGEEFSGRGNSPISQRITKGLGIISSNGKRWKEIRRFSLTTLRNFGMGKRSIEDRVQEEAHCLVEELRKTKASPCDPTFILGCAPCNVICSVVFQKRFDYKDQNFLTLMKRFNENFRILNSPWIQVCNNFPLLIDCFPGTHNKVLKNVALTRSYIREKVKEHQASLDVNNPRDFIDCFLIKMEQEKDNQKSEFNIENLVGTVADLFVAGTETTSTTLRYGLLLLLKHPEVTAKVQEEIDHVIGRHRSPCMQDRSHMPYTDAVVHEIQRYSDLVPTGVPHAVTTDTKFRNYLIPKGTTIMALLTSVLHDDKEFPNPNIFDPGHFLDKNGNFKKSDYFMPFSAGKRICAGEGLARMELFLFLTTILQNFNLKSVDDLKNLNTTAVTKGIVSLPPSYQICFIPV Cytochrome P450 2C8 CP2C8_HUMAN P10632 A8K9N8 B0AZN2 B7Z1F6 Q5VX93 Q8WWB1 Q9UCZ9 1575578 O=S(=O)(c1ccc(C(F)(F)F)cc1)n1c(-c2cccc3ccccc23)nc2ccc(Cl)cc21 787225 US12473262, Compound 782 Cytochrome P450 2C19 Homo sapiens 6000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787225 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2148&target=Cytochrome+P450+2C19&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787225&enzyme=Cytochrome+P450+2C19&column=ki&startPg=0&Increment=50&submit=Search 155598868 523969970 1 MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKIYGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFMESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYIDLIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFKKSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVPPFYQLCFIPV Cytochrome P450 2C19 CP2CJ_HUMAN P33261 P33259 Q8WZB1 Q8WZB2 Q9UCD4 1575579 O=S(=O)(c1ccc(C(F)(F)F)cc1)n1c(-c2cccc3ccccc23)nc2ccc(Cl)cc21 787225 US12473262, Compound 782 Cytochrome P450 3A4 Homo sapiens 400 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787225 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2127&target=Cytochrome+P450+3A4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787225&enzyme=Cytochrome+P450+3A4&column=ki&startPg=0&Increment=50&submit=Search 155598868 523969970 1 MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVSGA 7LXL,3NXU,2V0M,2J0D,1W0G,1W0F,1W0E,9GK1,4NY4 Cytochrome P450 3A4 CP3A4_HUMAN P08684 P05184 Q16757 Q9UK50 Cytochrome P450 3A Q6GRK0_HUMAN Q6GRK0 1575580 COC(=O)c1ccc2c(c1)nc(-c1cccc3ccccc13)n2C(=O)c1ccc(F)c(F)c1 787226 US12473262, Compound 848 Cytochrome P450 1A2 Homo sapiens 2600 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787226 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2146&target=Cytochrome+P450+1A2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787226&enzyme=Cytochrome+P450+1A2&column=ki&startPg=0&Increment=50&submit=Search 155599125 523969971 1 MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKNPHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDGQSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELMAGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFPILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGNLIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLSDRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPELWEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLEFSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN 2HI4 Cytochrome P450 1A2 CP1A2_HUMAN P05177 Q16754 Q6NWU3 Q6NWU5 Q9BXX7 Q9UK49 1575581 COC(=O)c1ccc2c(c1)nc(-c1cccc3ccccc13)n2C(=O)c1ccc(F)c(F)c1 787226 US12473262, Compound 848 Cytochrome P450 2C9 Homo sapiens 6300 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787226 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2128&target=Cytochrome+P450+2C9&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787226&enzyme=Cytochrome+P450+2C9&column=ki&startPg=0&Increment=50&submit=Search 155599125 523969971 1 MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV Cytochrome P450 2C9 CP2C9_HUMAN P11712 P11713 Q16756 Q16872 Q5VX92 Q6IRV8 Q8WW80 1575582 COC(=O)c1ccc2c(c1)nc(-c1cccc3ccccc13)n2C(=O)c1ccc(F)c(F)c1 787226 US12473262, Compound 848 Cytochrome P450 2D6 Homo sapiens 2900 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787226 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=356&target=Cytochrome+P450+2D6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787226&enzyme=Cytochrome+P450+2D6&column=ki&startPg=0&Increment=50&submit=Search 155599125 523969971 1 MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR 6CSD,6CSB Cytochrome P450 2D6 CP2D6_HUMAN P10635 Q16752 Q2XND6 Q2XND7 Q2XNE0 Q6B012 Q6NXU8 Cytochrome P450 C1ID52_HUMAN C1ID52 1575583 COC(=O)c1ccc2c(c1)nc(-c1cccc3ccccc13)n2C(=O)c1ccc(F)c(F)c1 787226 US12473262, Compound 848 Cytochrome P450 2B6 Homo sapiens 16700 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787226 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6685&target=Cytochrome+P450+2B6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787226&enzyme=Cytochrome+P450+2B6&column=ki&startPg=0&Increment=50&submit=Search 155599125 523969971 1 MELSVLLFLALLTGLLLLLVQRHPNTHDRLPPGPRPLPLLGNLLQMDRRGLLKSFLRFREKYGDVFTVHLGPRPVVMLCGVEAIREALVDKAEAFSGRGKIAMVDPFFRGYGVIFANGNRWKVLRRFSVTTMRDFGMGKRSVEERIQEEAQCLIEELRKSKGALMDPTFLFQSITANIICSIVFGKRFHYQDQEFLKMLNLFYQTFSLISSVFGQLFELFSGFLKYFPGAHRQVYKNLQEINAYIGHSVEKHRETLDPSAPKDLIDTYLLHMEKEKSNAHSEFSHQNLNLNTLSLFFAGTETTSTTLRYGFLLMLKYPHVAERVYREIEQVIGPHRPPELHDRAKMPYTEAVIYEIQRFSDLLPMGVPHIVTQHTSFRGYIIPKDTEVFLILSTALHDPHYFEKPDAFNPDHFLDANGALKKTEAFIPFSLGKRICLGEGIARAELFLFFTTILQNFSMASPVAPEDIDLTPQECGVGKIPPTYQIRFLPR Cytochrome P450 2B6 CP2B6_HUMAN P20813 B4DWP3 Q2V565 Q9UK46 1575584 COC(=O)c1ccc2c(c1)nc(-c1cccc3ccccc13)n2C(=O)c1ccc(F)c(F)c1 787226 US12473262, Compound 848 Cytochrome P450 2C8 Homo sapiens 3500 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787226 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7129&target=Cytochrome+P450+2C8&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787226&enzyme=Cytochrome+P450+2C8&column=ki&startPg=0&Increment=50&submit=Search 155599125 523969971 1 MEPFVVLVLCLSFMLLFSLWRQSCRRRKLPPGPTPLPIIGNMLQIDVKDICKSFTNFSKVYGPVFTVYFGMNPIVVFHGYEAVKEALIDNGEEFSGRGNSPISQRITKGLGIISSNGKRWKEIRRFSLTTLRNFGMGKRSIEDRVQEEAHCLVEELRKTKASPCDPTFILGCAPCNVICSVVFQKRFDYKDQNFLTLMKRFNENFRILNSPWIQVCNNFPLLIDCFPGTHNKVLKNVALTRSYIREKVKEHQASLDVNNPRDFIDCFLIKMEQEKDNQKSEFNIENLVGTVADLFVAGTETTSTTLRYGLLLLLKHPEVTAKVQEEIDHVIGRHRSPCMQDRSHMPYTDAVVHEIQRYSDLVPTGVPHAVTTDTKFRNYLIPKGTTIMALLTSVLHDDKEFPNPNIFDPGHFLDKNGNFKKSDYFMPFSAGKRICAGEGLARMELFLFLTTILQNFNLKSVDDLKNLNTTAVTKGIVSLPPSYQICFIPV Cytochrome P450 2C8 CP2C8_HUMAN P10632 A8K9N8 B0AZN2 B7Z1F6 Q5VX93 Q8WWB1 Q9UCZ9 1575585 COC(=O)c1ccc2c(c1)nc(-c1cccc3ccccc13)n2C(=O)c1ccc(F)c(F)c1 787226 US12473262, Compound 848 Cytochrome P450 2C19 Homo sapiens 1100 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787226 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2148&target=Cytochrome+P450+2C19&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787226&enzyme=Cytochrome+P450+2C19&column=ki&startPg=0&Increment=50&submit=Search 155599125 523969971 1 MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKIYGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFMESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYIDLIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFKKSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVPPFYQLCFIPV Cytochrome P450 2C19 CP2CJ_HUMAN P33261 P33259 Q8WZB1 Q8WZB2 Q9UCD4 1575586 COC(=O)c1ccc2c(c1)nc(-c1cccc3ccccc13)n2C(=O)c1ccc(F)c(F)c1 787226 US12473262, Compound 848 Cytochrome P450 3A4 Homo sapiens 13700 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787226 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2127&target=Cytochrome+P450+3A4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787226&enzyme=Cytochrome+P450+3A4&column=ki&startPg=0&Increment=50&submit=Search 155599125 523969971 1 MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVSGA 7LXL,3NXU,2V0M,2J0D,1W0G,1W0F,1W0E,9GK1,4NY4 Cytochrome P450 3A4 CP3A4_HUMAN P08684 P05184 Q16757 Q9UK50 Cytochrome P450 3A Q6GRK0_HUMAN Q6GRK0 1575587 COC(=O)c1ccc2nc(-c3cccc4ccccc34)n(C(=O)c3ccc(F)c(F)c3)c2c1 787227 US12473262, Compound 849 Cytochrome P450 1A2 Homo sapiens 15100 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787227 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2146&target=Cytochrome+P450+1A2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787227&enzyme=Cytochrome+P450+1A2&column=ki&startPg=0&Increment=50&submit=Search 155599025 523969972 1 MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKNPHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDGQSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELMAGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFPILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGNLIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLSDRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPELWEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLEFSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN 2HI4 Cytochrome P450 1A2 CP1A2_HUMAN P05177 Q16754 Q6NWU3 Q6NWU5 Q9BXX7 Q9UK49 1575588 COC(=O)c1ccc2nc(-c3cccc4ccccc34)n(C(=O)c3ccc(F)c(F)c3)c2c1 787227 US12473262, Compound 849 Cytochrome P450 2C9 Homo sapiens 7700 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787227 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2128&target=Cytochrome+P450+2C9&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787227&enzyme=Cytochrome+P450+2C9&column=ki&startPg=0&Increment=50&submit=Search 155599025 523969972 1 MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV Cytochrome P450 2C9 CP2C9_HUMAN P11712 P11713 Q16756 Q16872 Q5VX92 Q6IRV8 Q8WW80 1575589 COC(=O)c1ccc2nc(-c3cccc4ccccc34)n(C(=O)c3ccc(F)c(F)c3)c2c1 787227 US12473262, Compound 849 Cytochrome P450 2D6 Homo sapiens 19300 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787227 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=356&target=Cytochrome+P450+2D6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787227&enzyme=Cytochrome+P450+2D6&column=ki&startPg=0&Increment=50&submit=Search 155599025 523969972 1 MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR 6CSD,6CSB Cytochrome P450 2D6 CP2D6_HUMAN P10635 Q16752 Q2XND6 Q2XND7 Q2XNE0 Q6B012 Q6NXU8 Cytochrome P450 C1ID52_HUMAN C1ID52 1575590 COC(=O)c1ccc2nc(-c3cccc4ccccc34)n(C(=O)c3ccc(F)c(F)c3)c2c1 787227 US12473262, Compound 849 Cytochrome P450 2B6 Homo sapiens >48000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787227 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6685&target=Cytochrome+P450+2B6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787227&enzyme=Cytochrome+P450+2B6&column=ki&startPg=0&Increment=50&submit=Search 155599025 523969972 1 MELSVLLFLALLTGLLLLLVQRHPNTHDRLPPGPRPLPLLGNLLQMDRRGLLKSFLRFREKYGDVFTVHLGPRPVVMLCGVEAIREALVDKAEAFSGRGKIAMVDPFFRGYGVIFANGNRWKVLRRFSVTTMRDFGMGKRSVEERIQEEAQCLIEELRKSKGALMDPTFLFQSITANIICSIVFGKRFHYQDQEFLKMLNLFYQTFSLISSVFGQLFELFSGFLKYFPGAHRQVYKNLQEINAYIGHSVEKHRETLDPSAPKDLIDTYLLHMEKEKSNAHSEFSHQNLNLNTLSLFFAGTETTSTTLRYGFLLMLKYPHVAERVYREIEQVIGPHRPPELHDRAKMPYTEAVIYEIQRFSDLLPMGVPHIVTQHTSFRGYIIPKDTEVFLILSTALHDPHYFEKPDAFNPDHFLDANGALKKTEAFIPFSLGKRICLGEGIARAELFLFFTTILQNFSMASPVAPEDIDLTPQECGVGKIPPTYQIRFLPR Cytochrome P450 2B6 CP2B6_HUMAN P20813 B4DWP3 Q2V565 Q9UK46 1575591 COC(=O)c1ccc2nc(-c3cccc4ccccc34)n(C(=O)c3ccc(F)c(F)c3)c2c1 787227 US12473262, Compound 849 Cytochrome P450 2C8 Homo sapiens 4100 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787227 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7129&target=Cytochrome+P450+2C8&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787227&enzyme=Cytochrome+P450+2C8&column=ki&startPg=0&Increment=50&submit=Search 155599025 523969972 1 MEPFVVLVLCLSFMLLFSLWRQSCRRRKLPPGPTPLPIIGNMLQIDVKDICKSFTNFSKVYGPVFTVYFGMNPIVVFHGYEAVKEALIDNGEEFSGRGNSPISQRITKGLGIISSNGKRWKEIRRFSLTTLRNFGMGKRSIEDRVQEEAHCLVEELRKTKASPCDPTFILGCAPCNVICSVVFQKRFDYKDQNFLTLMKRFNENFRILNSPWIQVCNNFPLLIDCFPGTHNKVLKNVALTRSYIREKVKEHQASLDVNNPRDFIDCFLIKMEQEKDNQKSEFNIENLVGTVADLFVAGTETTSTTLRYGLLLLLKHPEVTAKVQEEIDHVIGRHRSPCMQDRSHMPYTDAVVHEIQRYSDLVPTGVPHAVTTDTKFRNYLIPKGTTIMALLTSVLHDDKEFPNPNIFDPGHFLDKNGNFKKSDYFMPFSAGKRICAGEGLARMELFLFLTTILQNFNLKSVDDLKNLNTTAVTKGIVSLPPSYQICFIPV Cytochrome P450 2C8 CP2C8_HUMAN P10632 A8K9N8 B0AZN2 B7Z1F6 Q5VX93 Q8WWB1 Q9UCZ9 1575592 COC(=O)c1ccc2nc(-c3cccc4ccccc34)n(C(=O)c3ccc(F)c(F)c3)c2c1 787227 US12473262, Compound 849 Cytochrome P450 2C19 Homo sapiens 1500 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787227 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2148&target=Cytochrome+P450+2C19&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787227&enzyme=Cytochrome+P450+2C19&column=ki&startPg=0&Increment=50&submit=Search 155599025 523969972 1 MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKIYGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFMESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYIDLIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFKKSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVPPFYQLCFIPV Cytochrome P450 2C19 CP2CJ_HUMAN P33261 P33259 Q8WZB1 Q8WZB2 Q9UCD4 1575593 COC(=O)c1ccc2nc(-c3cccc4ccccc34)n(C(=O)c3ccc(F)c(F)c3)c2c1 787227 US12473262, Compound 849 Cytochrome P450 3A4 Homo sapiens >50000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787227 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2127&target=Cytochrome+P450+3A4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787227&enzyme=Cytochrome+P450+3A4&column=ki&startPg=0&Increment=50&submit=Search 155599025 523969972 1 MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVSGA 7LXL,3NXU,2V0M,2J0D,1W0G,1W0F,1W0E,9GK1,4NY4 Cytochrome P450 3A4 CP3A4_HUMAN P08684 P05184 Q16757 Q9UK50 Cytochrome P450 3A Q6GRK0_HUMAN Q6GRK0 1575594 Clc1ccc2[nH]c(-c3cccc4ccccc34)cc2c1 787228 US12473262, Compound 893 Cytochrome P450 1A2 Homo sapiens 500 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787228 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2146&target=Cytochrome+P450+1A2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787228&enzyme=Cytochrome+P450+1A2&column=ki&startPg=0&Increment=50&submit=Search 155599127 523969973 1 MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKNPHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDGQSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELMAGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFPILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGNLIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLSDRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPELWEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLEFSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN 2HI4 Cytochrome P450 1A2 CP1A2_HUMAN P05177 Q16754 Q6NWU3 Q6NWU5 Q9BXX7 Q9UK49 1575595 Clc1ccc2[nH]c(-c3cccc4ccccc34)cc2c1 787228 US12473262, Compound 893 Cytochrome P450 2C9 Homo sapiens 7200 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787228 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2128&target=Cytochrome+P450+2C9&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787228&enzyme=Cytochrome+P450+2C9&column=ki&startPg=0&Increment=50&submit=Search 155599127 523969973 1 MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV Cytochrome P450 2C9 CP2C9_HUMAN P11712 P11713 Q16756 Q16872 Q5VX92 Q6IRV8 Q8WW80 1575596 Clc1ccc2[nH]c(-c3cccc4ccccc34)cc2c1 787228 US12473262, Compound 893 Cytochrome P450 2D6 Homo sapiens 31700 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787228 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=356&target=Cytochrome+P450+2D6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787228&enzyme=Cytochrome+P450+2D6&column=ki&startPg=0&Increment=50&submit=Search 155599127 523969973 1 MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR 6CSD,6CSB Cytochrome P450 2D6 CP2D6_HUMAN P10635 Q16752 Q2XND6 Q2XND7 Q2XNE0 Q6B012 Q6NXU8 Cytochrome P450 C1ID52_HUMAN C1ID52 1575597 Clc1ccc2[nH]c(-c3cccc4ccccc34)cc2c1 787228 US12473262, Compound 893 Cytochrome P450 2B6 Homo sapiens 8000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787228 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6685&target=Cytochrome+P450+2B6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787228&enzyme=Cytochrome+P450+2B6&column=ki&startPg=0&Increment=50&submit=Search 155599127 523969973 1 MELSVLLFLALLTGLLLLLVQRHPNTHDRLPPGPRPLPLLGNLLQMDRRGLLKSFLRFREKYGDVFTVHLGPRPVVMLCGVEAIREALVDKAEAFSGRGKIAMVDPFFRGYGVIFANGNRWKVLRRFSVTTMRDFGMGKRSVEERIQEEAQCLIEELRKSKGALMDPTFLFQSITANIICSIVFGKRFHYQDQEFLKMLNLFYQTFSLISSVFGQLFELFSGFLKYFPGAHRQVYKNLQEINAYIGHSVEKHRETLDPSAPKDLIDTYLLHMEKEKSNAHSEFSHQNLNLNTLSLFFAGTETTSTTLRYGFLLMLKYPHVAERVYREIEQVIGPHRPPELHDRAKMPYTEAVIYEIQRFSDLLPMGVPHIVTQHTSFRGYIIPKDTEVFLILSTALHDPHYFEKPDAFNPDHFLDANGALKKTEAFIPFSLGKRICLGEGIARAELFLFFTTILQNFSMASPVAPEDIDLTPQECGVGKIPPTYQIRFLPR Cytochrome P450 2B6 CP2B6_HUMAN P20813 B4DWP3 Q2V565 Q9UK46 1575598 Clc1ccc2[nH]c(-c3cccc4ccccc34)cc2c1 787228 US12473262, Compound 893 Cytochrome P450 2C8 Homo sapiens 7700 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787228 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7129&target=Cytochrome+P450+2C8&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787228&enzyme=Cytochrome+P450+2C8&column=ki&startPg=0&Increment=50&submit=Search 155599127 523969973 1 MEPFVVLVLCLSFMLLFSLWRQSCRRRKLPPGPTPLPIIGNMLQIDVKDICKSFTNFSKVYGPVFTVYFGMNPIVVFHGYEAVKEALIDNGEEFSGRGNSPISQRITKGLGIISSNGKRWKEIRRFSLTTLRNFGMGKRSIEDRVQEEAHCLVEELRKTKASPCDPTFILGCAPCNVICSVVFQKRFDYKDQNFLTLMKRFNENFRILNSPWIQVCNNFPLLIDCFPGTHNKVLKNVALTRSYIREKVKEHQASLDVNNPRDFIDCFLIKMEQEKDNQKSEFNIENLVGTVADLFVAGTETTSTTLRYGLLLLLKHPEVTAKVQEEIDHVIGRHRSPCMQDRSHMPYTDAVVHEIQRYSDLVPTGVPHAVTTDTKFRNYLIPKGTTIMALLTSVLHDDKEFPNPNIFDPGHFLDKNGNFKKSDYFMPFSAGKRICAGEGLARMELFLFLTTILQNFNLKSVDDLKNLNTTAVTKGIVSLPPSYQICFIPV Cytochrome P450 2C8 CP2C8_HUMAN P10632 A8K9N8 B0AZN2 B7Z1F6 Q5VX93 Q8WWB1 Q9UCZ9 1575599 Clc1ccc2[nH]c(-c3cccc4ccccc34)cc2c1 787228 US12473262, Compound 893 Cytochrome P450 2C19 Homo sapiens 2900 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787228 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2148&target=Cytochrome+P450+2C19&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787228&enzyme=Cytochrome+P450+2C19&column=ki&startPg=0&Increment=50&submit=Search 155599127 523969973 1 MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKIYGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFMESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYIDLIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFKKSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVPPFYQLCFIPV Cytochrome P450 2C19 CP2CJ_HUMAN P33261 P33259 Q8WZB1 Q8WZB2 Q9UCD4 1575600 Clc1ccc2[nH]c(-c3cccc4ccccc34)cc2c1 787228 US12473262, Compound 893 Cytochrome P450 3A4 Homo sapiens 23300 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787228 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2127&target=Cytochrome+P450+3A4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787228&enzyme=Cytochrome+P450+3A4&column=ki&startPg=0&Increment=50&submit=Search 155599127 523969973 1 MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVSGA 7LXL,3NXU,2V0M,2J0D,1W0G,1W0F,1W0E,9GK1,4NY4 Cytochrome P450 3A4 CP3A4_HUMAN P08684 P05184 Q16757 Q9UK50 Cytochrome P450 3A Q6GRK0_HUMAN Q6GRK0 1575601 O=C(C1CC1)n1c(-c2cccc3ccccc23)cc2cc(Cl)ccc21 787229 US12473262, Compound 972 Cytochrome P450 1A2 Homo sapiens 7000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787229 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2146&target=Cytochrome+P450+1A2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787229&enzyme=Cytochrome+P450+1A2&column=ki&startPg=0&Increment=50&submit=Search 155599076 523969974 1 MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKNPHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDGQSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELMAGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFPILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGNLIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLSDRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPELWEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLEFSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN 2HI4 Cytochrome P450 1A2 CP1A2_HUMAN P05177 Q16754 Q6NWU3 Q6NWU5 Q9BXX7 Q9UK49 1575602 O=C(C1CC1)n1c(-c2cccc3ccccc23)cc2cc(Cl)ccc21 787229 US12473262, Compound 972 Cytochrome P450 2C9 Homo sapiens 7000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787229 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2128&target=Cytochrome+P450+2C9&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787229&enzyme=Cytochrome+P450+2C9&column=ki&startPg=0&Increment=50&submit=Search 155599076 523969974 1 MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV Cytochrome P450 2C9 CP2C9_HUMAN P11712 P11713 Q16756 Q16872 Q5VX92 Q6IRV8 Q8WW80 1575603 O=C(C1CC1)n1c(-c2cccc3ccccc23)cc2cc(Cl)ccc21 787229 US12473262, Compound 972 Cytochrome P450 2D6 Homo sapiens >50000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787229 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=356&target=Cytochrome+P450+2D6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787229&enzyme=Cytochrome+P450+2D6&column=ki&startPg=0&Increment=50&submit=Search 155599076 523969974 1 MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR 6CSD,6CSB Cytochrome P450 2D6 CP2D6_HUMAN P10635 Q16752 Q2XND6 Q2XND7 Q2XNE0 Q6B012 Q6NXU8 Cytochrome P450 C1ID52_HUMAN C1ID52 1575604 O=C(C1CC1)n1c(-c2cccc3ccccc23)cc2cc(Cl)ccc21 787229 US12473262, Compound 972 Cytochrome P450 2B6 Homo sapiens 4300 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787229 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6685&target=Cytochrome+P450+2B6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787229&enzyme=Cytochrome+P450+2B6&column=ki&startPg=0&Increment=50&submit=Search 155599076 523969974 1 MELSVLLFLALLTGLLLLLVQRHPNTHDRLPPGPRPLPLLGNLLQMDRRGLLKSFLRFREKYGDVFTVHLGPRPVVMLCGVEAIREALVDKAEAFSGRGKIAMVDPFFRGYGVIFANGNRWKVLRRFSVTTMRDFGMGKRSVEERIQEEAQCLIEELRKSKGALMDPTFLFQSITANIICSIVFGKRFHYQDQEFLKMLNLFYQTFSLISSVFGQLFELFSGFLKYFPGAHRQVYKNLQEINAYIGHSVEKHRETLDPSAPKDLIDTYLLHMEKEKSNAHSEFSHQNLNLNTLSLFFAGTETTSTTLRYGFLLMLKYPHVAERVYREIEQVIGPHRPPELHDRAKMPYTEAVIYEIQRFSDLLPMGVPHIVTQHTSFRGYIIPKDTEVFLILSTALHDPHYFEKPDAFNPDHFLDANGALKKTEAFIPFSLGKRICLGEGIARAELFLFFTTILQNFSMASPVAPEDIDLTPQECGVGKIPPTYQIRFLPR Cytochrome P450 2B6 CP2B6_HUMAN P20813 B4DWP3 Q2V565 Q9UK46 1575605 O=C(C1CC1)n1c(-c2cccc3ccccc23)cc2cc(Cl)ccc21 787229 US12473262, Compound 972 Cytochrome P450 2C8 Homo sapiens >48800 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787229 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7129&target=Cytochrome+P450+2C8&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787229&enzyme=Cytochrome+P450+2C8&column=ki&startPg=0&Increment=50&submit=Search 155599076 523969974 1 MEPFVVLVLCLSFMLLFSLWRQSCRRRKLPPGPTPLPIIGNMLQIDVKDICKSFTNFSKVYGPVFTVYFGMNPIVVFHGYEAVKEALIDNGEEFSGRGNSPISQRITKGLGIISSNGKRWKEIRRFSLTTLRNFGMGKRSIEDRVQEEAHCLVEELRKTKASPCDPTFILGCAPCNVICSVVFQKRFDYKDQNFLTLMKRFNENFRILNSPWIQVCNNFPLLIDCFPGTHNKVLKNVALTRSYIREKVKEHQASLDVNNPRDFIDCFLIKMEQEKDNQKSEFNIENLVGTVADLFVAGTETTSTTLRYGLLLLLKHPEVTAKVQEEIDHVIGRHRSPCMQDRSHMPYTDAVVHEIQRYSDLVPTGVPHAVTTDTKFRNYLIPKGTTIMALLTSVLHDDKEFPNPNIFDPGHFLDKNGNFKKSDYFMPFSAGKRICAGEGLARMELFLFLTTILQNFNLKSVDDLKNLNTTAVTKGIVSLPPSYQICFIPV Cytochrome P450 2C8 CP2C8_HUMAN P10632 A8K9N8 B0AZN2 B7Z1F6 Q5VX93 Q8WWB1 Q9UCZ9 1575606 O=C(C1CC1)n1c(-c2cccc3ccccc23)cc2cc(Cl)ccc21 787229 US12473262, Compound 972 Cytochrome P450 2C19 Homo sapiens 200 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787229 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2148&target=Cytochrome+P450+2C19&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787229&enzyme=Cytochrome+P450+2C19&column=ki&startPg=0&Increment=50&submit=Search 155599076 523969974 1 MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKIYGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFMESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYIDLIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFKKSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVPPFYQLCFIPV Cytochrome P450 2C19 CP2CJ_HUMAN P33261 P33259 Q8WZB1 Q8WZB2 Q9UCD4 1575607 O=C(C1CC1)n1c(-c2cccc3ccccc23)cc2cc(Cl)ccc21 787229 US12473262, Compound 972 Cytochrome P450 3A4 Homo sapiens >50000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787229 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2127&target=Cytochrome+P450+3A4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787229&enzyme=Cytochrome+P450+3A4&column=ki&startPg=0&Increment=50&submit=Search 155599076 523969974 1 MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVSGA 7LXL,3NXU,2V0M,2J0D,1W0G,1W0F,1W0E,9GK1,4NY4 Cytochrome P450 3A4 CP3A4_HUMAN P08684 P05184 Q16757 Q9UK50 Cytochrome P450 3A Q6GRK0_HUMAN Q6GRK0 1575608 O=C(c1ccc(F)c(F)c1)n1c(-c2cccc3ccccc23)cc2cc(Cl)ccc21 787230 US12473262, Compound 973 Cytochrome P450 1A2 Homo sapiens >50000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787230 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2146&target=Cytochrome+P450+1A2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787230&enzyme=Cytochrome+P450+1A2&column=ki&startPg=0&Increment=50&submit=Search 155598949 523969975 1 MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKNPHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDGQSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELMAGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFPILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGNLIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLSDRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPELWEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLEFSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN 2HI4 Cytochrome P450 1A2 CP1A2_HUMAN P05177 Q16754 Q6NWU3 Q6NWU5 Q9BXX7 Q9UK49 1575609 O=C(c1ccc(F)c(F)c1)n1c(-c2cccc3ccccc23)cc2cc(Cl)ccc21 787230 US12473262, Compound 973 Cytochrome P450 2C9 Homo sapiens >50000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787230 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2128&target=Cytochrome+P450+2C9&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787230&enzyme=Cytochrome+P450+2C9&column=ki&startPg=0&Increment=50&submit=Search 155598949 523969975 1 MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV Cytochrome P450 2C9 CP2C9_HUMAN P11712 P11713 Q16756 Q16872 Q5VX92 Q6IRV8 Q8WW80 1575610 O=C(c1ccc(F)c(F)c1)n1c(-c2cccc3ccccc23)cc2cc(Cl)ccc21 787230 US12473262, Compound 973 Cytochrome P450 2D6 Homo sapiens >50000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787230 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=356&target=Cytochrome+P450+2D6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787230&enzyme=Cytochrome+P450+2D6&column=ki&startPg=0&Increment=50&submit=Search 155598949 523969975 1 MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR 6CSD,6CSB Cytochrome P450 2D6 CP2D6_HUMAN P10635 Q16752 Q2XND6 Q2XND7 Q2XNE0 Q6B012 Q6NXU8 Cytochrome P450 C1ID52_HUMAN C1ID52 1575611 O=C(c1ccc(F)c(F)c1)n1c(-c2cccc3ccccc23)cc2cc(Cl)ccc21 787230 US12473262, Compound 973 Cytochrome P450 2B6 Homo sapiens >50000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787230 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6685&target=Cytochrome+P450+2B6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787230&enzyme=Cytochrome+P450+2B6&column=ki&startPg=0&Increment=50&submit=Search 155598949 523969975 1 MELSVLLFLALLTGLLLLLVQRHPNTHDRLPPGPRPLPLLGNLLQMDRRGLLKSFLRFREKYGDVFTVHLGPRPVVMLCGVEAIREALVDKAEAFSGRGKIAMVDPFFRGYGVIFANGNRWKVLRRFSVTTMRDFGMGKRSVEERIQEEAQCLIEELRKSKGALMDPTFLFQSITANIICSIVFGKRFHYQDQEFLKMLNLFYQTFSLISSVFGQLFELFSGFLKYFPGAHRQVYKNLQEINAYIGHSVEKHRETLDPSAPKDLIDTYLLHMEKEKSNAHSEFSHQNLNLNTLSLFFAGTETTSTTLRYGFLLMLKYPHVAERVYREIEQVIGPHRPPELHDRAKMPYTEAVIYEIQRFSDLLPMGVPHIVTQHTSFRGYIIPKDTEVFLILSTALHDPHYFEKPDAFNPDHFLDANGALKKTEAFIPFSLGKRICLGEGIARAELFLFFTTILQNFSMASPVAPEDIDLTPQECGVGKIPPTYQIRFLPR Cytochrome P450 2B6 CP2B6_HUMAN P20813 B4DWP3 Q2V565 Q9UK46 1575612 O=C(c1ccc(F)c(F)c1)n1c(-c2cccc3ccccc23)cc2cc(Cl)ccc21 787230 US12473262, Compound 973 Cytochrome P450 2C8 Homo sapiens >50000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787230 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7129&target=Cytochrome+P450+2C8&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787230&enzyme=Cytochrome+P450+2C8&column=ki&startPg=0&Increment=50&submit=Search 155598949 523969975 1 MEPFVVLVLCLSFMLLFSLWRQSCRRRKLPPGPTPLPIIGNMLQIDVKDICKSFTNFSKVYGPVFTVYFGMNPIVVFHGYEAVKEALIDNGEEFSGRGNSPISQRITKGLGIISSNGKRWKEIRRFSLTTLRNFGMGKRSIEDRVQEEAHCLVEELRKTKASPCDPTFILGCAPCNVICSVVFQKRFDYKDQNFLTLMKRFNENFRILNSPWIQVCNNFPLLIDCFPGTHNKVLKNVALTRSYIREKVKEHQASLDVNNPRDFIDCFLIKMEQEKDNQKSEFNIENLVGTVADLFVAGTETTSTTLRYGLLLLLKHPEVTAKVQEEIDHVIGRHRSPCMQDRSHMPYTDAVVHEIQRYSDLVPTGVPHAVTTDTKFRNYLIPKGTTIMALLTSVLHDDKEFPNPNIFDPGHFLDKNGNFKKSDYFMPFSAGKRICAGEGLARMELFLFLTTILQNFNLKSVDDLKNLNTTAVTKGIVSLPPSYQICFIPV Cytochrome P450 2C8 CP2C8_HUMAN P10632 A8K9N8 B0AZN2 B7Z1F6 Q5VX93 Q8WWB1 Q9UCZ9 1575613 O=C(c1ccc(F)c(F)c1)n1c(-c2cccc3ccccc23)cc2cc(Cl)ccc21 787230 US12473262, Compound 973 Cytochrome P450 2C19 Homo sapiens 23100 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787230 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2148&target=Cytochrome+P450+2C19&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787230&enzyme=Cytochrome+P450+2C19&column=ki&startPg=0&Increment=50&submit=Search 155598949 523969975 1 MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKIYGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFMESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYIDLIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFKKSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVPPFYQLCFIPV Cytochrome P450 2C19 CP2CJ_HUMAN P33261 P33259 Q8WZB1 Q8WZB2 Q9UCD4 1575614 O=C(c1ccc(F)c(F)c1)n1c(-c2cccc3ccccc23)cc2cc(Cl)ccc21 787230 US12473262, Compound 973 Cytochrome P450 3A4 Homo sapiens >50000 US Patent 10.7270/Q2MS3ZJ1 US12473262 Kolluri, SK; Kerkvliet, NI; Bernales, S; Chakravarty, J; Pujala, B; Khan, P; Kumar, V; Danodia, A; Ureta, G 11/18/2025 3/8/2026 Oregon State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=787230 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2127&target=Cytochrome+P450+3A4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=787230&enzyme=Cytochrome+P450+3A4&column=ki&startPg=0&Increment=50&submit=Search 155598949 523969975 1 MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVSGA 7LXL,3NXU,2V0M,2J0D,1W0G,1W0F,1W0E,9GK1,4NY4 Cytochrome P450 3A4 CP3A4_HUMAN P08684 P05184 Q16757 Q9UK50 Cytochrome P450 3A Q6GRK0_HUMAN Q6GRK0