Reaction Details Report a problem with these data
Target
Genome polyprotein
Ligand
BDBM50496214
Substrate
n/a
Meas. Tech.
ChEMBL_1295505 (CHEMBL3131503)
Ki
1260±n/a nM
Citation
 Gising, J; Belfrage, AK; Alogheli, H; Ehrenberg, A; Åkerblom, E; Svensson, R; Artursson, P; Karlén, A; Danielson, UH; Larhed, M; Sandström, A Achiral pyrazinone-based inhibitors of the hepatitis C virus NS3 protease and drug-resistant variants with elongated substituents directed toward the S2 pocket. J Med Chem 57:1790-801 (2014) [PubMed]  Article 
Target
Name:
Genome polyprotein
Synonyms:
Protease NS3/Non-structural protein 4A (NS3/NS4A) | Protease NS3/Non-structural protein 4A (NS3/NS4A) (D168V)
Type:
Enzyme
Mol. Mass.:
19121.30
Organism:
Hepatitis C virus genotype 1b (isolate Con1) (HCV)
Description:
Q91RS4
Residue:
181
Sequence:
APITAYAQQTRGLLGCIITSLTGRDKNQVEGEVQIVSTAAQTFLATCINGVCWTVYHGAGTRTIASPKGPVIQMYTNVDQDLVGWPAPQGARSLTPCTCGSSDLYLVTRHADVIPVRRRGDSRGSLLSPRPISYLKGSSGGPLLCPAGHAVGLFRAAVCTRGVAKAVDFIPVENLETTMRS
  
Inhibitor
Name:
BDBM50496214
Synonyms:
CHEMBL3125635
Type:
Small organic molecule
Emp. Form.:
C32H30ClF3N6O6S
Mol. Mass.:
719.13
SMILES:
Cc1c(Cl)nc(NC(=O)NC(C)(C)C)c(=O)n1C(C(=O)Nc1ccccc1C(=O)NS(=O)(=O)c1ccc(cc1)C(F)(F)F)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: