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
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM1005 (N-(3-[1-(6,6-Di-(2-cyclopropylethyl)-5,6-dihydro-4...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.70 | -11.8 | n/a | n/a | n/a | n/a | n/a | 5.0 | 22 |
Upjohn | Assay 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... | J Med Chem 41: 3467-76 (1998) Article DOI: 10.1021/jm9802158 BindingDB Entry DOI: 10.7270/Q2S180P3 | |||||||||||
More data for this Ligand-Target Pair |