| Reaction Details |
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 | Report a problem with these data |
| Target | Genome polyprotein |
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| Ligand | BDBM50326055 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_830849 (CHEMBL2065355) |
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| Ki | 22±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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| BDBM50326055 |
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| n/a |
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| Name | BDBM50326055 |
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| Synonyms: | (1R,21S,24S)-21-tert-Butyl-N-((1R,2R)-1-{[(cyclopropylsulfonyl)amino]carbonyl}-2-ethylcyclopropyl)-16,16-dimethyl-3,19,22-trioxo-2,18-dioxa-4,20,23-triazatetracyclo[21.2.1.14,7.06,11]-heptacosa-6,8,10-triene-24-carboxamide | (1R,21S,24S)-21-tert-butyl-N-((1R,2R)-1-{[(cyclopropylsulfonyl)amino]carbonyl}-2-ethylcyclopropyl)-16,16-dimethyl-3,19,22-trioxo-2,18-dioxa-4,20,23-triazatetracyclo[21.2.1.14,70.06,11]heptacosa-6,8,10-triene-24-carboxamide | CHEMBL599872 | MK-7009 |
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| Type | Small organic molecule |
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| Emp. Form. | C38H53N5O9S |
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| Mol. Mass. | 755.921 |
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| SMILES | CC(C)(C)[C@@H]1NC(=O)OCC(C)(C)CCCCc2cccc3CN(Cc23)C(=O)O[C@@H]2C[C@H](N(C2)C1=O)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1 |r| |
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| Structure | 
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