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

  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 = 1005   

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

LigandPNGBDBM1005(N-(3-{1-[6,6-bis(2-cyclopropylethyl)-4-hydroxy-2-o...)
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
In Depth
Date in BDB:
9/10/2004
Entry Details Article
PubMed