BDBM1002 N-[3-[1-(5,6-Dihydro-4-hydroxy-2-oxo-6,6-dipropyl-2H-pyran-3-yl)propyl]phenyl]-1-methyl-1H-imidazolesulfonamide::N-{3-[1-(4-hydroxy-2-oxo-6,6-dipropyl-5,6-dihydro-2H-pyran-3-yl)propyl]phenyl}-1-methyl-1H-imidazole-4-sulfonamide::Tipranavir deriv. 13

SMILES CCCC1(CCC)CC(=O)C(C(CC)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C(=O)O1

InChI Key InChIKey=GSLZBEXVWFVTIG-UHFFFAOYSA-N

Data  1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 1002   

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

LigandPNGBDBM1002(N-[3-[1-(5,6-Dihydro-4-hydroxy-2-oxo-6,6-dipropyl-...)
Show SMILES CCCC1(CCC)CC(=O)C(C(CC)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C(=O)O1
Show InChI InChI=1S/C24H33N3O5S/c1-5-11-24(12-6-2)14-20(28)22(23(29)32-24)19(7-3)17-9-8-10-18(13-17)26-33(30,31)21-15-27(4)16-25-21/h8-10,13,15-16,19,22,26H,5-7,11-12,14H2,1-4H3
Affinity DataKi:  1.80nM 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