BDBM50613429 CHEMBL5271223

SMILES CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)C(=O)N

InChI Key InChIKey=VYMACSGLMLFUSD-UHFFFAOYSA-N

Data  2 KI

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50613429   

TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50613429(CHEMBL5271223)
Affinity DataKi:  8.90nMAssay Description:Binding affinity to HIV1 recombinant wild type protease expressed in Escherichia coli BL21(DE3) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50613429(CHEMBL5271223)
Affinity DataKi:  8.90nMAssay Description:Inhibition of HIV-1 protease using Abz-NF-6 as substrate assessed as inhibition constant measured every 2 mins for 20 mins by fluorescence based ELIS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMedPDB3D3D Structure (crystal)