Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM370467 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1866289 (CHEMBL4367264) |
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IC50 | 10900±n/a nM |
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Citation | Kumar, S; Waldo, JP; Jaipuri, FA; Marcinowicz, A; Van Allen, C; Adams, J; Kesharwani, T; Zhang, X; Metz, R; Oh, AJ; Harris, SF; Mautino, MR Discovery of Clinical Candidate (1 J Med Chem62:6705-6733 (2019) [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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BDBM370467 |
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n/a |
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Name | BDBM370467 |
Synonyms: | 4-(2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)- 1-hydroxyethyl)cyclohexanone; | US10233190, Example 1379 |
Type | Small organic molecule |
Emp. Form. | C18H19FN2O2 |
Mol. Mass. | 314.3541 |
SMILES | OC(CC1c2c(cccc2F)-c2cncn12)C1CCC(=O)CC1 |
Structure |
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