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Target
Genome polyprotein
Ligand
BDBM50326056
Substrate
n/a
Meas. Tech.
ChEMBL_1295505 (CHEMBL3131503)
Ki
3.9±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:
BDBM50326056
Synonyms:
(1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide | (1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-3-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)-octahydrocyclopenta[c]pyrrole-1-carboxamide | (1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-6-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)-octahydrocyclopenta[c]pyrrole-1-carboxamide | CHEMBL231813 | TELAPREVIR | Telaprevi | VX-950
Type:
Small organic molecule
Emp. Form.:
C36H53N7O6
Mol. Mass.:
679.8493
SMILES:
CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1 |r|
Structure:
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