BDBM701 (2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl-1-(methylcarbamoyl)propyl]-2,5-bis(phenylsulfanyl)hexanediamide::Diol-Based HIV-1 protease inhibitor 14::N1,N6-Di-[(1S)-2-methyl-1-(methylcarbamoyl)propyl]-(2R,3R,4R,5R)-3,4-dihydroxy-2,5-di(phenylsulfanyl)hexanediamide

SMILES CNC(=O)[C@@H](NC(=O)[C@H](Sc1ccccc1)[C@H](O)[C@@H](O)[C@@H](Sc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C

InChI Key InChIKey=FXXCOXGHNXZQPW-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 701   

TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Stockholm University

LigandPNGBDBM701(N1,N6-Di-[(1S)-2-methyl-1-(methylcarbamoyl)propyl]...)
Affinity DataKi:  1.80nM ΔG°:  -12.1kcal/molepH: 5.0 T: 2°CAssay Description:A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptid...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/13/2004
Entry Details Article
PubMed