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Target
Genome polyprotein
Ligand
BDBM50482599
Substrate
n/a
Meas. Tech.
ChEMBL_651836 (CHEMBL1227201)
Ki
1700±n/a nM
Citation
 Ortqvist, P; Gising, J; Ehrenberg, AE; Vema, A; Borg, A; Karlén, A; Larhed, M; Danielson, UH; Sandström, A Discovery of achiral inhibitors of the hepatitis C virus NS3 protease based on 2(1H)-pyrazinones. Bioorg Med Chem 18:6512-25 (2010) [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:
BDBM50482599
Synonyms:
CHEMBL1222749
Type:
Small organic molecule
Emp. Form.:
C32H29ClF3N5O7S
Mol. Mass.:
720.115
SMILES:
Cc1c(Cl)nc(NC(=O)OC(C)(C)C)c(=O)n1C(C(=O)Nc1ccccc1C(=O)NS(=O)(=O)c1ccc(cc1)C(F)(F)F)c1ccccc1
Structure:
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