Reaction Details |
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Target | Genome polyprotein |
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Ligand | BDBM50336545 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1437316 (CHEMBL3384819) |
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Ki | 2.8±n/a nM |
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Citation | Lampa, A; Alogheli, H; Ehrenberg, AE; Åkerblom, E; Svensson, R; Artursson, P; Danielson, UH; Karlén, A; Sandström, A Vinylated linear P2 pyrimidinyloxyphenylglycine based inhibitors of the HCV NS3/4A protease and corresponding macrocycles. Bioorg Med Chem22:6595-615 (2015) [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 |
Synonyms: | Nonstructural protein NS3-4A |
Type: | PROTEIN |
Mol. Mass.: | 71633.49 |
Organism: | Hepatitis C virus |
Description: | ChEMBL_109716 |
Residue: | 674 |
Sequence: | SPITAYSQQTRGLLGCIITSLTGRDKNQVEGEVQVVSTATQSFLATCVNGVCWTVFHGAG
SKTLAGPKGPITQMYTNVDQDLVGWMAPPGARSMTPCTCGSSDLYLVTRHADVIPVRRRG
DGRGSLLSPRPVSYLKGSSGGPLLCPSGHVVGIFRAAVCTRGVAKAVDFVPVESMETTMR
SPVFTDNSSPPAVPQTFQVAHLHAPTGSGKSTKVPAAYAAQGYKVLVLNPSVAATLGFGA
YMSKAGTDPNIRTGVRTITTGAPITYSTYGKFLADGGCSGGAYDIICDECHSTDSTTLGI
GTVLDQAETAGARLVVLATATPPGSTVPHPNIEEVALSTTGEIPFYGKAIPIETIKGGRH
LIFCHSKKKCDELAGKLSALGLNAVAYYRGLDVSVIPTSGDVVVVATDALMTGYTGDFDS
VIDCNTCVTQTVDFSLDPTFTIETTTVPQDAVSRSQRRGRTGRGRGIYRFVTPGERPSGM
FDSSVLCECYDAGCAWYELTPAETTRLRAYLNTPGLPVCQDHLEFWEGVFTGLTIDAHFL
SQTKQAGDNFPYLVAYQATVCARAQAPPPSWDQMWKCLRLKPTLHGPTPLLYRLGAVQNE
ITLTHPITKIMTCMSADLEVVTSTWVLVGGVLAALAAYCLTTGSVVIVGRIILSGRPAVP
DREVLYEFDEMEEC
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BDBM50336545 |
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n/a |
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Name | BDBM50336545 |
Synonyms: | (1R,2S)-1-((2S,4R)-4-(8-bromo-2-(2-isobutyramidothiazol-4-yl)-7-methoxyquinolin-4-yloxy)-1-((S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoyl)pyrrolidine-2-carboxamido)-2-vinylcyclopropanecarboxylic acid | CHEMBL1241348 | N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-4-[(8-bromo-7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-L-prolinamide |
Type | Small organic molecule |
Emp. Form. | C40H49BrN6O9S |
Mol. Mass. | 869.821 |
SMILES | COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)OC3CCCC3)C(C)(C)C)C(=O)N[C@@]3(C[C@H]3C=C)C(O)=O)cc(nc2c1Br)-c1csc(NC(=O)C(C)C)n1 |r| |
Structure |
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