BDBM17840 2-(2H-1,3-benzodioxol-5-yl)-N-[(2S,3S,5S)-3-hydroxy-5-{[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]formamido}-1,6-diphenylhexan-2-yl]acetamide::Hydroxyethylene Isostere-Based Compound, 23a

SMILES O[C@@H](C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1)[C@H](Cc1ccccc1)NC(=O)Cc1ccc2OCOc2c1

InChI Key InChIKey=RWBIVIUXFGDQLF-JSRYUEOTSA-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 = 17840   

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

LigandPNGBDBM17840(2-(2H-1,3-benzodioxol-5-yl)-N-[(2S,3S,5S)-3-hydrox...)
Affinity DataKi:  657nM ΔG°:  -8.57kcal/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 DepthDetails ArticlePubMed