BDBM1180 N-[3-[Cyclopropyl[6-[1-ethyl-3-(2-methoxyethoxy)propyl]-4-hydroxy-2-oxo-2H-pyran-3-yl]methyl]phenyl]-1-methyl-1H-imidazole-4-sulfonamide::N-{3-[cyclopropyl({4-hydroxy-6-[1-(2-methoxyethoxy)pentan-3-yl]-2-oxo-2H-pyran-3-yl})methyl]phenyl}-1-methyl-1H-imidazole-4-sulfonamide::Sulfonamide-Containing 4-Hydroxy-2-pyrone deriv. XX

SMILES CCC(CCOCCOC)c1cc(O)c(C(C2CC2)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)c(=O)o1

InChI Key InChIKey=SMABGRXWDGFPEH-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 = 1180   

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

LigandPNGBDBM1180(N-[3-[Cyclopropyl[6-[1-ethyl-3-(2-methoxyethoxy)pr...)
Affinity DataKi:  0.880nM ΔG°:  -12.2kcal/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 DepthDetails ArticlePubMed