| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 3A4 |
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| Ligand | BDBM50565837 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2093987 (CHEMBL4775250) |
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| IC50 | >40000±n/a nM |
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| Citation |  Sun, LQ; Mull, E; D'Andrea, S; Zheng, B; Hiebert, S; Gillis, E; Bowsher, M; Kandhasamy, S; Baratam, VR; Puttaswamy, S; Pulicharla, N; Vishwakrishnan, S; Reddy, S; Trivedi, R; Sinha, S; Sivaprasad, S; Rao, A; Desai, S; Ghosh, K; Anumula, R; Kumar, A; Rajamani, R; Wang, YK; Fang, H; Mathur, A; Rampulla, R; Zvyaga, TA; Mosure, K; Jenkins, S; Falk, P; Tagore, DM; Chen, C; Rendunchintala, K; Loy, J; Meanwell, NA; McPhee, F; Scola, PM Discovery of BMS-986144, a Third-Generation, Pan-Genotype NS3/4A Protease Inhibitor for the Treatment of Hepatitis C Virus Infection. J Med Chem63:14740-14760 (2020) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cytochrome P450 3A4 |
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| Name: | Cytochrome P450 3A4 |
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| Synonyms: | Albendazole monooxygenase | Albendazole sulfoxidase | CP3A4_HUMAN | CYP3A3 | CYP3A4 | CYPIIIA3 | CYPIIIA4 | Cytochrome P450 3A3 | Cytochrome P450 3A4 (CYP3A4) | Cytochrome P450 HLp | Nifedipine oxidase | Quinine 3-monooxygenase | Taurochenodeoxycholate 6-alpha-hydroxylase |
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| Type: | Enzyme |
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| Mol. Mass.: | 57349.57 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 503 |
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| Sequence: | MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMF
DMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISI
AEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYS
MDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICV
FPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSI
IFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVV
NETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFS
KKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLG
GLLQPEKPVVLKVESRDGTVSGA
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| BDBM50565837 |
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| n/a |
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| Name | BDBM50565837 |
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| Synonyms: | CHEMBL4787795 |
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| Type | Small organic molecule |
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| Emp. Form. | C40H51F4N5O9S |
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| Mol. Mass. | 853.92 |
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| SMILES | [H][C@@]12C[C@]1(NC(=O)[C@]1([H])C[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](CC)C[C@H](C)CC\C=C/2)Oc1nccc2cc(OC)c(F)cc12)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:37| |
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| Structure | 
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