Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50394815 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_859942 (CHEMBL2167345) |
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IC50 | 480±n/a nM |
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Citation | Richards, S; Larson, CJ; Koltun, ES; Hanel, A; Chan, V; Nachtigall, J; Harrison, A; Aay, N; Du, H; Arcalas, A; Galan, A; Zhang, J; Zhang, W; Won, KA; Tam, D; Qian, F; Wang, T; Finn, P; Ogilvie, K; Rosen, J; Aoyama, R; Plonowski, A; Cancilla, B; Bentzien, F; Yakes, M; Mohan, R; Lamb, P; Nuss, J; Kearney, P Discovery and characterization of an inhibitor of glucosylceramide synthase. J Med Chem55:4322-35 (2012) [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 |
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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BDBM50394815 |
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n/a |
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Name | BDBM50394815 |
Synonyms: | CHEMBL2163834 |
Type | Small organic molecule |
Emp. Form. | C24H26BrCl2N3O2 |
Mol. Mass. | 539.292 |
SMILES | CN1CCN(CC1)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r| |
Structure |
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