BDBM1005 N-(3-[1-(6,6-Di-(2-cyclopropylethyl)-5,6-dihydro-4-hydroxy-2-oxo-2H--pyran-3-yl)propyl]phenyl)-1-methyl-1H-imidazole-4-sulfonamide::N-(3-{1-[6,6-bis(2-cyclopropylethyl)-4-hydroxy-2-oxo-5,6-dihydro-2H-pyran-3-yl]propyl}phenyl)-1-methyl-1H-imidazole-4-sulfonamide::Tipranavir deriv. 16

SMILES CCC(C1C(=O)CC(CCC2CC2)(CCC2CC2)OC1=O)c1cccc(NS(=O)(=O)c2cn(C)cn2)c1

InChI Key InChIKey=XVWYGZBFILDRGF-UHFFFAOYSA-N

Data  1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 1005   

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

LigandPNGBDBM1005(N-(3-[1-(6,6-Di-(2-cyclopropylethyl)-5,6-dihydro-4...)
Show SMILES CCC(C1C(=O)CC(CCC2CC2)(CCC2CC2)OC1=O)c1cccc(NS(=O)(=O)c2cn(C)cn2)c1
Show InChI InChI=1S/C28H37N3O5S/c1-3-23(21-5-4-6-22(15-21)30-37(34,35)25-17-31(2)18-29-25)26-24(32)16-28(36-27(26)33,13-11-19-7-8-19)14-12-20-9-10-20/h4-6,15,17-20,23,26,30H,3,7-14,16H2,1-2H3
Affinity DataKi:  1.70nM ΔG°:  -11.8kcal/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