Reaction Details Report a problem with these data
Target
Cytochrome P450 1A1
Ligand
BDBM50081709
Substrate
n/a
Meas. Tech.
ChEMBL_1931142 (CHEMBL4434393)
IC50
4.8±n/a nM
Citation
 Zhao, L; Sun, N; Tian, L; Zhao, S; Sun, B; Sun, Y; Zhao, D Strategies for the development of highly selective cytochrome P450 inhibitors: Several CYP targets in current research. Bioorg Med Chem Lett 29:2016-2024 (2019) [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:
BDBM50081709
Synonyms:
CHEMBL3422257
Type:
Small organic molecule
Emp. Form.:
C22H18O5
Mol. Mass.:
362.3753
SMILES:
COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: