BDBM1006 N-[3-(1-{4'-hydroxy-3',6'-dihydrospiro[adamantane-2,2'-pyran]-6'-one}propyl)phenyl]-1-methyl-1H-imidazole-4-sulfonamide::N-[3-[1-(5,6-Dihydro-4-hydroxy-6-oxospirop[2H-pyran-2,2 -tricyclo[3.3.1.1]decan]-5-yl)propyl]phenyl]-1-methyl-1H-imidazole-4-sulfonamide::Tipranavir deriv. 17

SMILES CCC(C1C(=O)CC2(OC1=O)C1CC3CC(C1)CC2C3)c1cccc(NS(=O)(=O)c2cn(C)cn2)c1

InChI Key InChIKey=AGZAKAOUNODZPW-UHFFFAOYSA-N

Data  1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 1006   

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

LigandPNGBDBM1006(N-[3-(1-{4'-hydroxy-3',6'-dihydrospiro[adamantane-...)
Show SMILES CCC(C1C(=O)CC2(OC1=O)C1CC3CC(C1)CC2C3)c1cccc(NS(=O)(=O)c2cn(C)cn2)c1
Show InChI InChI=1S/C27H33N3O5S/c1-3-22(18-5-4-6-21(12-18)29-36(33,34)24-14-30(2)15-28-24)25-23(31)13-27(35-26(25)32)19-8-16-7-17(10-19)11-20(27)9-16/h4-6,12,14-17,19-20,22,25,29H,3,7-11,13H2,1-2H3
Affinity DataKi:  23nM ΔG°:  -10.3kcal/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