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Target
Cytochrome P450 1A1
Ligand
BDBM50081717
Substrate
n/a
Meas. Tech.
ChEMBL_1474527 (CHEMBL3423816)
IC50
1.8±n/a nM
Citation
 Cui, J; Meng, Q; Zhang, X; Cui, Q; Zhou, W; Li, S Design and Synthesis of Newa-Naphthoflavones as Cytochrome P450 (CYP) 1B1 Inhibitors To Overcome Docetaxel-Resistance Associated with CYP1B1 Overexpression. J Med Chem 58:3534-47 (2015) [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:
BDBM50081717
Synonyms:
CHEMBL3422338
Type:
Small organic molecule
Emp. Form.:
C22H17ClO5
Mol. Mass.:
396.82
SMILES:
COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1ccc(Cl)cc1
Structure:
Search PDB for entries with ligand similarity: