BDBM699 (2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,5-bis(prop-2-en-1-ylsulfanyl)hexanediamide::Diol-Based HIV-1 protease inhibitor 12::N1,N6-Di[(2R)-hydroxy-(1S)-indanyl]-(2R,3R,4R,5R)-2,5-di(allylsulfanyl)-3,4-dihydroxyhexanediamide

SMILES O[C@H]([C@@H](O)[C@@H](SCC=C)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](SCC=C)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12

InChI Key InChIKey=KCNUMUHYFUJGAS-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 = 699   

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

LigandPNGBDBM699((2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hyd...)
Affinity DataKi:  16nM ΔG°:  -10.8kcal/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