Reaction Details |
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Target | Cytochrome P450 1A1 |
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Ligand | BDBM50113267 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1508786 (CHEMBL3603195) |
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Ki | 110000±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 1A1 |
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Name: | Cytochrome P450 1A1 |
Synonyms: | CP1A1_HUMAN | CYP1A1 | CYPIA1 | Cytochrome P450 1A | Cytochrome P450 1A1 | Cytochrome P450 1A1 (CYP1A1) | P450 form 6 | P450-C | P450-P1 |
Type: | Protein |
Mol. Mass.: | 58177.23 |
Organism: | Homo sapiens (Human) |
Description: | P04798 |
Residue: | 512 |
Sequence: | MLFPISMSATEFLLASVIFCLVFWVIRASRPQVPKGLKNPPGPWGWPLIGHMLTLGKNPH
LALSRMSQQYGDVLQIRIGSTPVVVLSGLDTIRQALVRQGDDFKGRPDLYTFTLISNGQS
MSFSPDSGPVWAARRRLAQNGLKSFSIASDPASSTSCYLEEHVSKEAEVLISTLQELMAG
PGHFNPYRYVVVSVTNVICAICFGRRYDHNHQELLSLVNLNNNFGEVVGSGNPADFIPIL
RYLPNPSLNAFKDLNEKFYSFMQKMVKEHYKTFEKGHIRDITDSLIEHCQEKQLDENANV
QLSDEKIINIVLDLFGAGFDTVTTAISWSLMYLVMNPRVQRKIQEELDTVIGRSRRPRLS
DRSHLPYMEAFILETFRHSSFVPFTIPHSTTRDTSLKGFYIPKGRCVFVNQWQINHDQKL
WVNPSEFLPERFLTPDGAIDKVLSEKVIIFGMGKRKCIGETIARWEVFLFLAILLQRVEF
SVPLGVKVDMTPIYGLTMKHACCEHFQMQLRS
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BDBM50113267 |
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n/a |
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Name | BDBM50113267 |
Synonyms: | CHEMBL3601439 |
Type | Small organic molecule |
Emp. Form. | C13H10O3 |
Mol. Mass. | 214.2167 |
SMILES | Cc1cc(=O)oc2c3C=CCOc3ccc12 |c:8| |
Structure |
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