BDBM50081545 1-{3-[(3R,4S,5S,6R)-4,5-Dihydroxy-7-(3-{1-[(Z)-hydroxyimino]-ethyl}-benzyl)-1,1-dioxo-3,6-bis-phenoxymethyl-1lambda*6*-[1,2,7]thiadiazepan-2-ylmethyl]-phenyl}-ethanone oxime::CHEMBL133517

SMILES CC(N=O)c1cccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc3ccccc3)N(Cc3cccc(c3)C(C)N=O)S2(=O)=O)c1

InChI Key InChIKey=SXGGEMRFBQBUFK-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50081545   

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

Curated by ChEMBL
LigandPNGBDBM50081545(1-{3-[(3R,4S,5S,6R)-4,5-Dihydroxy-7-(3-{1-[(Z)-hyd...)
Affinity DataKi:  3.40nMAssay Description:Inhibitory activity against HIV-1 Protease expressed in Escherichia coliMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed