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Target
Genome polyprotein
Ligand
BDBM50495950
Substrate
n/a
Meas. Tech.
ChEMBL_1292598 (CHEMBL3124301)
Ki
45±n/a nM
Citation
 Jiang, Y; Andrews, SW; Condroski, KR; Buckman, B; Serebryany, V; Wenglowsky, S; Kennedy, AL; Madduru, MR; Wang, B; Lyon, M; Doherty, GA; Woodard, BT; Lemieux, C; Geck Do, M; Zhang, H; Ballard, J; Vigers, G; Brandhuber, BJ; Stengel, P; Josey, JA; Beigelman, L; Blatt, L; Seiwert, SD Discovery of danoprevir (ITMN-191/R7227), a highly selective and potent inhibitor of hepatitis C virus (HCV) NS3/4A protease. J Med Chem 57:1753-69 (2014) [PubMed]  Article 
Target
Name:
Genome polyprotein
Synonyms:
NS3 protease
Type:
PROTEIN
Mol. Mass.:
19154.35
Organism:
Hepacivirus C
Description:
ChEMBL_118440
Residue:
181
Sequence:
APITAYAQQTRGLLGCIITSLTGRDKNQAEGEVQIVSTATQTFLATCINGVCWTVYHGAGTRTIASPKGPVIQMYTNVDKDLVGWPAPQGTRSLTPCTCGSSDLYLVTRHADVIPVRRRGDSRGSLLSPRPISYLKGSSGGPLLCPAGHAVGIFRAAVCTRGVAKAVDFIPVENLETTMRS
  
Inhibitor
Name:
BDBM50495950
Synonyms:
Danoprevir | R-05190591 | R05190591 | RO-5190591 | RO5190591
Type:
Small organic molecule
Emp. Form.:
C35H46FN5O9S
Mol. Mass.:
731.831
SMILES:
[H][C@@]12C[C@]1(NC(=O)[C@]1([H])C[C@H](CN1C(=O)[C@H](CCCCC\C=C/2)NC(=O)OC(C)(C)C)OC(=O)N1Cc2cccc(F)c2C1)C(=O)NS(=O)(=O)C1CC1 |c:23|
Structure:
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