BDBM17842 Hydroxyethylene Isostere-Based Compound, 25d::pyridin-3-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-{[(5S)-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]formamido}-1,6-diphenylhexan-2-yl]carbamate

SMILES O[C@@H](C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(F)(F)F)[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1

InChI Key InChIKey=JBHCPNAOYVCBLC-MCEBTLFFSA-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 = 17842   

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

LigandPNGBDBM17842(Hydroxyethylene Isostere-Based Compound, 25d | pyr...)
Affinity DataKi:  41.1nM ΔG°:  -10.2kcal/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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed