Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM184063 |
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Substrate/Competitor | n/a |
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Meas. Tech. | CYP3A4 Inhibition Assay |
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pH | 7.4±n/a |
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Temperature | 310.15±n/a K |
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IC50 | 9700±n/a nM |
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Comments | extracted |
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Citation | Bolli, M; Boss, C; Brotschi, C; Heidmann, B; Sifferlen, T; Williams, JT 2-(1,2,3-triazol-2-yl)benzamide and 3-(1,2,3-triazol-2-YL)picolinamide derivatives as orexin receptor antagonists US Patent US9150566 Publication Date 10/6/2015 |
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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 |
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 |
Type: | Enzyme |
Mol. Mass.: | 57349.57 |
Organism: | Homo sapiens (Human) |
Description: | n/a |
Residue: | 503 |
Sequence: | MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMF
DMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISI
AEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYS
MDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICV
FPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSI
IFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVV
NETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFS
KKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLG
GLLQPEKPVVLKVESRDGTVSGA
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BDBM184063 |
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n/a |
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Name | BDBM184063 |
Synonyms: | US9150566, 101 |
Type | Small organic molecule |
Emp. Form. | C24H25N7O2 |
Mol. Mass. | 443.501 |
SMILES | C[C@@H]1CN([C@H](Cc2cccc(c2)-n2nccn2)CO1)C(=O)c1ccc(C)cc1-n1nccn1 |
Structure |
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