| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 1A1 |
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| Ligand | BDBM50562252 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2077758 (CHEMBL4733549) |
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| IC50 | 1.6±n/a nM |
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| Citation |  Dong, J; Huang, G; Cui, Q; Meng, Q; Li, S; Cui, J Discovery of heterocycle-containing ?-naphthoflavone derivatives as water-soluble, highly potent and selective CYP1B1 inhibitors. Eur J Med Chem209:0 (2021) [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 |
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| Synonyms: | CP1A1_HUMAN | CYP1A1 | CYPIA1 | Cytochrome P450 1A | Cytochrome P450 1A1 | Cytochrome P450 1A1 (CYP1A1) | P450 form 6 | P450-C | P450-P1 |
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| Type: | Protein |
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| Mol. Mass.: | 58177.23 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P04798 |
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| Residue: | 512 |
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| Sequence: | MLFPISMSATEFLLASVIFCLVFWVIRASRPQVPKGLKNPPGPWGWPLIGHMLTLGKNPH
LALSRMSQQYGDVLQIRIGSTPVVVLSGLDTIRQALVRQGDDFKGRPDLYTFTLISNGQS
MSFSPDSGPVWAARRRLAQNGLKSFSIASDPASSTSCYLEEHVSKEAEVLISTLQELMAG
PGHFNPYRYVVVSVTNVICAICFGRRYDHNHQELLSLVNLNNNFGEVVGSGNPADFIPIL
RYLPNPSLNAFKDLNEKFYSFMQKMVKEHYKTFEKGHIRDITDSLIEHCQEKQLDENANV
QLSDEKIINIVLDLFGAGFDTVTTAISWSLMYLVMNPRVQRKIQEELDTVIGRSRRPRLS
DRSHLPYMEAFILETFRHSSFVPFTIPHSTTRDTSLKGFYIPKGRCVFVNQWQINHDQKL
WVNPSEFLPERFLTPDGAIDKVLSEKVIIFGMGKRKCIGETIARWEVFLFLAILLQRVEF
SVPLGVKVDMTPIYGLTMKHACCEHFQMQLRS
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| BDBM50562252 |
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| n/a |
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| Name | BDBM50562252 |
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| Synonyms: | CHEMBL4798651 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H16ClNO5 |
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| Mol. Mass. | 397.808 |
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| SMILES | COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1ccc(Cl)cn1 |
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| Structure | 
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