BDBM17845 (5S)-N-[(2S,3S)-3-hydroxy-4-{[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]-N'-{[4-(pyridin-2-yl)phenyl]methyl}formohydrazido}-1-phenylbutan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide::(Hydroxyethyl)hydrazine Isostere-Based Compound, 39

SMILES O[C@@H](CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1

InChI Key InChIKey=GQKWNYLKLDCKEF-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 = 17845   

TargetDimer of Gag-Pol polyprotein [491-589,Q496K](Human immunodeficiency virus type 1)
University of Massachusetts Medical School

LigandPNGBDBM17845((5S)-N-[(2S,3S)-3-hydroxy-4-{[(5S)-2-oxo-3-phenyl-...)
Affinity DataKi:  300nM ΔG°:  -9.04kcal/molepH: 4.7 T: 2°CAssay Description:HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/10/2007
Entry Details Article
PubMed