Reaction Details |
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Target | Cytochrome P450 1A2 |
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Ligand | BDBM50113261 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1508787 (CHEMBL3603196) |
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Ki | 76±n/a nM |
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Citation | Liu, J; Pham, PT; Skripnikova, EV; Zheng, S; Lovings, LJ; Wang, Y; Goyal, N; Bellow, SM; Mensah, LM; Chatters, AJ; Bratton, MR; Wiese, TE; Zhao, M; Wang, G; Foroozesh, M A Ligand-Based Drug Design. Discovery of 4-Trifluoromethyl-7,8-pyranocoumarin as a Selective Inhibitor of Human Cytochrome P450 1A2. J Med Chem58:6481-93 (2015) [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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BDBM50113261 |
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n/a |
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Name | BDBM50113261 |
Synonyms: | CHEMBL3601435 |
Type | Small organic molecule |
Emp. Form. | C18H11NO2 |
Mol. Mass. | 273.2854 |
SMILES | O=c1cc(oc2c3cccnc3ccc12)-c1ccccc1 |
Structure |
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