Reaction Details |
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Target | Cytochrome P450 1A2 |
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Ligand | BDBM50595569 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2217029 (CHEMBL5130161) |
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IC50 | >10000±n/a nM |
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Citation | Yin, L; Pan, Y; Xue, Y; Chen, X; You, T; Huang, J; Xu, Q; Hu, Q Design, Synthesis, and Biological Evaluations of Pyridyl 4,5,6,7-Tetrahydro-4,7-Methanobenzo[ J Med Chem65:11876-11888 (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 |
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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BDBM50595569 |
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n/a |
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Name | BDBM50595569 |
Synonyms: | CHEMBL5184829 |
Type | Small organic molecule |
Emp. Form. | C21H19N5O2 |
Mol. Mass. | 373.4079 |
SMILES | [H][C@@]12CC[C@@]([H])(C1)[C@]1(ON=C(c3cccnc3)[C@@]21[H])C(=O)Nc1ccc2[nH]ncc2c1 |r,t:10| |
Structure |
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