Reaction Details |
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Target | Cytochrome P450 1A2 |
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Ligand | BDBM50565986 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2094311 (CHEMBL4775574) |
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IC50 | >40000±n/a nM |
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Citation | Liu, C; Lin, J; Langevine, C; Smith, D; Li, J; Tokarski, JS; Khan, J; Ruzanov, M; Strnad, J; Zupa-Fernandez, A; Cheng, L; Gillooly, KM; Shuster, D; Zhang, Y; Thankappan, A; McIntyre, KW; Chaudhry, C; Elzinga, PA; Chiney, M; Chimalakonda, A; Lombardo, LJ; Macor, JE; Carter, PH; Burke, JR; Weinstein, DS Discovery of BMS-986202: A Clinical Tyk2 Inhibitor that Binds to Tyk2 JH2. J Med Chem64:677-694 (2021) [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 |
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 |
Type: | Enzyme |
Mol. Mass.: | 58423.38 |
Organism: | Homo sapiens (Human) |
Description: | P05177 |
Residue: | 516 |
Sequence: | MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKN
PHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDG
QSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELM
AGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFP
ILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGN
LIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLS
DRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPEL
WEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLE
FSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN
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BDBM50565986 |
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n/a |
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Name | BDBM50565986 |
Synonyms: | CHEMBL4789639 |
Type | Small organic molecule |
Emp. Form. | C22H21FN6O3 |
Mol. Mass. | 439.4574 |
SMILES | [2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(F)cn2)c1OC |
Structure |
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