BDBM1013 N-[3-[1-(5,6-Dihydro-4-hydroxy-2-oxo-6,6-dipropyl-2H-pyran-3-yl)cyclopropylmethyl]phenyl]-1-methyl-1H-imidazolesulfonamide::N-{3-[cyclopropyl(4-hydroxy-2-oxo-6,6-dipropyl-5,6-dihydro-2H-pyran-3-yl)methyl]phenyl}-1-methyl-1H-imidazole-4-sulfonamide::Tipranavir deriv. 25

SMILES CCCC1(CCC)CC(=O)C(C(C2CC2)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C(=O)O1

InChI Key InChIKey=KUDVLELOEJOLHR-UHFFFAOYSA-N

Data  1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 1013   

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

LigandPNGBDBM1013(N-[3-[1-(5,6-Dihydro-4-hydroxy-2-oxo-6,6-dipropyl-...)
Show SMILES CCCC1(CCC)CC(=O)C(C(C2CC2)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C(=O)O1
Show InChI InChI=1S/C25H33N3O5S/c1-4-11-25(12-5-2)14-20(29)23(24(30)33-25)22(17-9-10-17)18-7-6-8-19(13-18)27-34(31,32)21-15-28(3)16-26-21/h6-8,13,15-17,22-23,27H,4-5,9-12,14H2,1-3H3
Affinity DataKi:  0.520nM ΔG°:  -12.5kcal/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