Reaction Details Report a problem with these data
Target
Cytochrome P450 1A1
Ligand
BDBM50085541
Substrate
n/a
Meas. Tech.
ChEMBL_1684841 (CHEMBL4035320)
Ki
160±n/a nM
Citation
 Dutour, R; Poirier, D Inhibitors of cytochrome P450 (CYP) 1B1. Eur J Med Chem 135:296-306 (2017) [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:
BDBM50085541
Synonyms:
(E)-3,5-dihydroxy-4'-methoxystilbene | 13E-3,5-dihydroxy-4'-methoxystilbene | 3,5-dihydroxy-4'-methoxystilbene | 5-(4-methoxystyryl)benzene-1,3-diol | 5-[(E)-2-(4-Methoxy-phenyl)-vinyl]-benzene-1,3-diol | 5-[2-((E)-4-Methoxy-phenyl)-vinyl]-benzene-1,3-diol | 5-[2-(4-Methoxy-phenyl)-vinyl]-benzene-1,3-diol | CHEMBL291501 | E 5-[2-(4-Methoxy-phenyl)-vinyl]-benzene-1,3-diol | trans-3,5-dihydroxy-4'-methoxystilbene
Type:
Small organic molecule
Emp. Form.:
C15H14O3
Mol. Mass.:
242.2699
SMILES:
COc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Structure:
Search PDB for entries with ligand similarity: