BDBM1189 4-cyano-N-(3-{cyclopropyl[4-hydroxy-2-oxo-6-(1-phenylbutan-2-yl)-2H-pyran-3-yl]methyl}phenyl)benzene-1-sulfonamide::N-[3-[Cyclopropyl[4-hydroxy-2-oxo-6-[1-(phenylmethyl)propyl]2H-pyran-3-yl)methyl]phenyl]-4-cyanobenzenesulfonamide::Sulfonamide-Containing 4-Hydroxy-2-pyrone deriv. XXIX

SMILES CCC(Cc1ccccc1)c1cc(O)c(C(C2CC2)c2cccc(NS(=O)(=O)c3ccc(cc3)C#N)c2)c(=O)o1

InChI Key InChIKey=OCXOYYFOGHBUKE-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 = 1189   

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

LigandPNGBDBM1189(4-cyano-N-(3-{cyclopropyl[4-hydroxy-2-oxo-6-(1-phe...)
Affinity DataKi:  5.70nM ΔG°:  -11.1kcal/molepH: 5.0 T: 2°CAssay Description:HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...More data for this Ligand-Target Pair
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