BDBM1185 N-(3-{cyclopropyl[4-hydroxy-2-oxo-6-(1-phenylbutan-2-yl)-2H-pyran-3-yl]methyl}phenyl)propane-1-sulfonamide::N-[3-[Cyclopropyl(4-hydroxy-2-oxo-6-[1-(phenylmethyl)propyl]-2H-pyran-3-yl]methyl]phenyl]propanesulfonamide::Sulfonamide-Containing 4-Hydroxy-2-pyrone deriv. XXV

SMILES CCCS(=O)(=O)Nc1cccc(c1)C(C1CC1)c1c(O)cc(oc1=O)C(CC)Cc1ccccc1

InChI Key InChIKey=GTGPHAUFYVHIIY-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 = 1185   

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

LigandPNGBDBM1185(N-(3-{cyclopropyl[4-hydroxy-2-oxo-6-(1-phenylbutan...)
Affinity DataKi:  40nM ΔG°:  -9.98kcal/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
In Depth
Date in BDB:
9/23/2004
Entry Details Article
PubMed