| Reaction Details |
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 | Report a problem with these data |
| Target | Genome polyprotein |
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| Ligand | BDBM50326056 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1295505 (CHEMBL3131503) |
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| Ki | 3.9±n/a nM |
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| 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 Chem57:1790-801 (2014) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Genome polyprotein |
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| Name: | Genome polyprotein |
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| Synonyms: | Protease NS3/Non-structural protein 4A (NS3/NS4A) | Protease NS3/Non-structural protein 4A (NS3/NS4A) (D168V) |
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| Type: | Enzyme |
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| Mol. Mass.: | 19121.30 |
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| Organism: | Hepatitis C virus genotype 1b (isolate Con1) (HCV) |
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| Description: | Q91RS4 |
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| Residue: | 181 |
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| Sequence: | APITAYAQQTRGLLGCIITSLTGRDKNQVEGEVQIVSTAAQTFLATCINGVCWTVYHGAG
TRTIASPKGPVIQMYTNVDQDLVGWPAPQGARSLTPCTCGSSDLYLVTRHADVIPVRRRG
DSRGSLLSPRPISYLKGSSGGPLLCPAGHAVGLFRAAVCTRGVAKAVDFIPVENLETTMR
S
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| BDBM50326056 |
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| n/a |
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| Name | BDBM50326056 |
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| 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 |
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| Type | Small organic molecule |
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| Emp. Form. | C36H53N7O6 |
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| Mol. Mass. | 679.8493 |
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| 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| |
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| Structure | 
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