BDBM86421 CAS_79617-96-2::NSC_68617::SERTRALINE

SMILES CN[C@H]1CC[C@H](c2c1cccc2)c3ccc(c(c3)Cl)Cl

InChI Key InChIKey=VGKDLMBJGBXTGI-UHFFFAOYSA-N

Data  3 KI

PDB links: 6 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 86421   

LigandPNGBDBM86421(NSC_68617 | CAS_79617-96-2 | SERTRALINE)
Affinity DataKi:  0.900nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/29/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM86421(NSC_68617 | CAS_79617-96-2 | SERTRALINE)
Affinity DataKi:  26nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/29/2012
Entry Details Article
PubMed
LigandPNGBDBM86421(NSC_68617 | CAS_79617-96-2 | SERTRALINE)
Affinity DataKi:  715nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/29/2012
Entry Details Article
PubMed