| Reaction Details |
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 | Report a problem with these data |
| Target | Genome polyprotein |
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| Ligand | BDBM123409 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Inhibition Assay |
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| pH | 7.5±n/a |
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| Temperature | 303.15±n/a K |
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| Ki | 1000±n/a nM |
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| Comments | extracted |
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| Citation |  Simmen, KA; De Kock, HA; Raboisson, PJ; Hu, L; Tahri, A; Surleraux, DL; Nilsson, KM; Samuelsson, BB; Rosenquist, A; Ivanov, V; Pelcman, M; Belfrage, AK; Johansson, PM; Vendeville, SM Macrocyclic inhibitors of hepatitis C virus US Patent US8741926 Publication Date 6/3/2014 |
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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: | NS3-4A protease |
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| Type: | Enzyme |
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| Mol. Mass.: | 72788.46 |
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| Organism: | Hepatitis C virus |
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| Description: | K7XGM7 |
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| Residue: | 681 |
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| Sequence: | APTAYAQQTRGLLGCITSLTGRDKNQVEGEVQIVSTAAQTFLATCINGVCWTVYHGAGTR
TIASPKGPVIQMYTNVDKDLVGWPAPQGARSLTPCCGSSDLYLVTRHADVIPVRRRGDRG
SLLSPRPISYLKGSSGGPLLCPAGHAVGIFRAAVCTRGVAKAVDFIPVESLETTMRSPVF
TDNSSPPAVPQSFQVAHLHAPTGSGKSTRVPAAYAAQGYKVLVLNPSVAATLGFGAYMSK
AHGVDPNVRTGVRTITTGSPITYSTYGKFLADGGCSGGAYDIIICDECHSTDATSILGIG
TVLDQAETAGARLVVLATATPPGSVTVHPNIEEVALSTTGEIPFYGKAIPLEIKGGRHLI
FCHSKKKCDELAAKLLGINAVAYYRGLDVSVIPTSGDVVVVATDALMTGFTGDFDSVIDC
NTCVTQTVDFSLDPTFTLETTTLPQDAVRTQRRGRTGRGRPGIYRFVTPGERPSGMFDSS
VLCECYDAGCAWYELTPAETTVRLRAYMNTPGLPVCQDHLEFWEGVFTGLTHIDAHFLSQ
TKQSGENLPYLVAYQATVCARAQAPPSWDQMWKCLRLKPTLHGPTPLLYRLGAVQNEITL
THPTKYIMTCMSADLEVVTSTWVLVGGVLAALAYCLSTGCVVIVGRIVLSGRPAIIPDRE
VLYEFDEMEECSQHLPYIEQG
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| BDBM123409 |
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| n/a |
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| Name | BDBM123409 |
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| Synonyms: | US8741926, 81 |
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| Type | Small organic molecule |
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| Emp. Form. | C35H42N4O6S |
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| Mol. Mass. | 646.796 |
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| SMILES | COc1ccc2c(O[C@H]3C[C@@H]4[C@@H](C3)C(=O)N[C@@]3(C[C@H]3\C=C/CCCCCNC4=O)C(O)=O)cc(nc2c1C)-c1nc(cs1)C(C)C |r,c:21| |
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| Structure | 
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