| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 1A2 |
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| Ligand | BDBM50598923 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2228509 (CHEMBL5142022) |
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| IC50 | >10000±n/a nM |
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| Citation |  Cisar, JS; Pietsch, C; DeRatt, LG; Jacoby, E; Kazmi, F; Keohane, C; Legenski, K; Matico, R; Shaffer, P; Simonnet, Y; Tanner, A; Wang, CY; Wang, W; Attar, R; Edwards, JP; Kuduk, SD -Heterocyclic 3-Pyridyl Carboxamide Inhibitors of DHODH for the Treatment of Acute Myelogenous Leukemia. J Med Chem65:11241-11256 (2022) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cytochrome P450 1A2 |
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| Name: | Cytochrome P450 1A2 |
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| Synonyms: | CP1A2_HUMAN | CYP1A2 | CYPIA2 | Cholesterol 25-hydroxylase | Cytochrome P(3)450 | Cytochrome P450 1A | Cytochrome P450 1A2 (CYP1A2) | Cytochrome P450 4 | Cytochrome P450-P3 |
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| Type: | Enzyme |
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| Mol. Mass.: | 58423.38 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P05177 |
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| Residue: | 516 |
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| Sequence: | MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKN
PHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDG
QSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELM
AGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFP
ILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGN
LIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLS
DRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPEL
WEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLE
FSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN
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| BDBM50598923 |
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| n/a |
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| Name | BDBM50598923 |
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| Synonyms: | CHEMBL5193821 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H21ClF4N6O5 |
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| Mol. Mass. | 548.875 |
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| SMILES | CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(C)cnc(OC)c2Cl)c1=O |r| |
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| Structure | 
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