BDBM353 (2R,3R,4R,5R)-2,5-bis[(2,4-difluorophenyl)methoxy]-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl-1-(methylcarbamoyl)propyl]hexanediamide::1-Valine Methylamide deriv. 6::N1,N6-Bis-[(1S)-2-methyl-1-(methylcarbamoyl)propyl]-(2R,3R,4R,5R)-2,5-bis-(2,4-difluorobenzyloxy)-3,4-dihydroxyhexanediamide

SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(F)cc1F)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(F)cc1F)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C

InChI Key InChIKey=QZBGFQPYINAGJE-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 = 353   

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

LigandPNGBDBM353((2R,3R,4R,5R)-2,5-bis[(2,4-difluorophenyl)methoxy]...)
Affinity DataKi:  1.12nM ΔG°:  -12.4kcal/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:
3/30/2004
Entry Details Article
PubMed