BDBM17873 (2S)-2-(2-{3-[(2S)-4-methyl-2-[(4E)-7-methyl-2-(propan-2-yl)oct-4-enamido]pentanamido]-2-oxohexanamido}acetamido)-2-phenylacetic acid::CVS 4819::Ketoamide inhibitor, 1
SMILES: CCCC(NC(=O)[C@H](CC(C)C)NC(=O)C(C\C=C\CC(C)C)C(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(O)=O)c1ccccc1
InChI Key: InChIKey=KWTWSYDWITXSOY-HWJGHGKNSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
HCV NS3-NS4A Serine Proteinase (Hepatitis C virus (HCV genotype 1a, isolate H)) | BDBM17873 ((2S)-2-(2-{3-[(2S)-4-methyl-2-[(4E)-7-methyl-2-(pr...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem Patents | PDB Article PubMed | 4.30E+3 | -7.44 | n/a | n/a | n/a | n/a | n/a | 6.5 | 30 |
Schering-Plough Research Institute | Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I... | J Med Chem 50: 2310-8 (2007) Article DOI: 10.1021/jm060173k BindingDB Entry DOI: 10.7270/Q27D2SDK | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |