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Target
Cytochrome P450 1A1
Ligand
BDBM50519905
Substrate
n/a
Meas. Tech.
ChEMBL_1878664 (CHEMBL4380058)
IC50
3.0±n/a nM
Citation
 Dong, J; Wang, Z; Cui, J; Meng, Q; Li, S Synthesis and structure-activity relationship studies of ?-naphthoflavone derivatives as CYP1B1 inhibitors. Eur J Med Chem 187:0 (2020) [PubMed]  Article 
Target
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:
MLFPISMSATEFLLASVIFCLVFWVIRASRPQVPKGLKNPPGPWGWPLIGHMLTLGKNPHLALSRMSQQYGDVLQIRIGSTPVVVLSGLDTIRQALVRQGDDFKGRPDLYTFTLISNGQSMSFSPDSGPVWAARRRLAQNGLKSFSIASDPASSTSCYLEEHVSKEAEVLISTLQELMAGPGHFNPYRYVVVSVTNVICAICFGRRYDHNHQELLSLVNLNNNFGEVVGSGNPADFIPILRYLPNPSLNAFKDLNEKFYSFMQKMVKEHYKTFEKGHIRDITDSLIEHCQEKQLDENANVQLSDEKIINIVLDLFGAGFDTVTTAISWSLMYLVMNPRVQRKIQEELDTVIGRSRRPRLSDRSHLPYMEAFILETFRHSSFVPFTIPHSTTRDTSLKGFYIPKGRCVFVNQWQINHDQKLWVNPSEFLPERFLTPDGAIDKVLSEKVIIFGMGKRKCIGETIARWEVFLFLAILLQRVEFSVPLGVKVDMTPIYGLTMKHACCEHFQMQLRS
  
Inhibitor
Name:
BDBM50519905
Synonyms:
CHEMBL4457289
Type:
Small organic molecule
Emp. Form.:
C22H18O5
Mol. Mass.:
362.3753
SMILES:
COc1cc(cc(OC)c1OC)-c1cc(=O)c2ccc3ccccc3c2o1
Structure:
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