| Reaction Details |
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 | Report a problem with these data |
| Target | Genome polyprotein |
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| Ligand | BDBM50485494 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_830850 (CHEMBL2065356) |
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| Ki | 5.7±n/a nM |
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| Citation |  Harper, S; McCauley, JA; Rudd, MT; Ferrara, M; DiFilippo, M; Crescenzi, B; Koch, U; Petrocchi, A; Holloway, MK; Butcher, JW; Romano, JJ; Bush, KJ; Gilbert, KF; McIntyre, CJ; Nguyen, KT; Nizi, E; Carroll, SS; Ludmerer, SW; Burlein, C; DiMuzio, JM; Graham, DJ; McHale, CM; Stahlhut, MW; Olsen, DB; Monteagudo, E; Cianetti, S; Giuliano, C; Pucci, V; Trainor, N; Fandozzi, CM; Rowley, M; Coleman, PJ; Vacca, JP; Summa, V; Liverton, NJ Discovery of MK-5172, a Macrocyclic Hepatitis C Virus NS3/4a Protease Inhibitor. ACS Med Chem Lett3:332-6 (2012) [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: | Genome polyprotein |
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| Type: | PROTEIN |
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| Mol. Mass.: | 74061.95 |
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| Organism: | Hepacivirus C |
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| Description: | ChEMBL_118425 |
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| Residue: | 694 |
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| Sequence: | APITAYAQQTRGLLGCIITSLTGRDKNQAEGEVQIVSTAAQTFLATCINGVCWTVYHGAG
TRTIASPKGPIQMYTNVDKDLVGWPAPQGTRSLTPCTCGSSDLYLVTRHADVIPVRRRGD
SRGSLLSPRPISYLKGSSGGPLLCPAGHAVGIFRAAVCTRGVAKAVDFIPVENLETTMRS
PVFTDNSSPPAVPQSFQVAHLHAPTGSGKSTKVPAAYAAQGYKVLVLNPSVAATLGFGAY
MSKAHGVDPNIRTGVRTITTGSPITYSTYGKFLADGGCSGGAYDIIICDECHSTDATSIL
GIGTVLDQAETAGARLVVLATATPPGSVTVPHPNIEEVALSTTGEIPFYGKAIPLEAIKG
GRHLIFCHSKKKCDELAAKLVALGINAVAYYRGLDVSVIPTSGDVVVVATDALMTGFTGD
FDTVIDCNTCVTQTVDFSLDPTFTIETTTLPQDAVSRTQRRGRTGRGKPGIYRYVAPGER
PSGMFDSSVLCECYDTGCAWYELTPAETTVRLRSYMNTPGLPVCQDHLEFWEGVFTGLTH
IDAHFLSQTKQSGENLPYLVAYQATVCARAQALPPSWDQMWKCLTRLKPTLHGPTPLLYR
LGAVQNEVTLTHPVTKYIMTCMSADLEVVTSTWVLVGGVLAALAAYCLSTGCVVIVGRVI
LSGKPAIIPDREVLYREFDEMEECSQHLPYIEQG
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| BDBM50485494 |
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| n/a |
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| Name | BDBM50485494 |
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| Synonyms: | CHEMBL2063089 |
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| Type | Small organic molecule |
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| Emp. Form. | C39H51N5O9S |
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| Mol. Mass. | 765.915 |
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| SMILES | [H][C@@]12C[C@@]1([H])OC(=O)N[C@H](C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@@]1([H])C=C)C(=O)NS(=O)(=O)C1CC1)Oc1cc3cc(OC)ccc3nc1CCCCC2)C(C)(C)C |r| |
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| Structure | 
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