Reaction Details Report a problem with these data
Target
Cytochrome P450 1A1
Ligand
BDBM50131688
Substrate
n/a
Meas. Tech.
ChEMBL_1684841 (CHEMBL4035320)
Ki
570±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:
BDBM50131688
Synonyms:
(E)-4-(3,5-dimethoxystyryl)phenol | 3,5-Dimethoxy-4'-hydroxyl-trans-stilbene | 4'-hydroxy-3,5-dimethoxy stilbene | 4-(3,5-dimethoxystyryl)phenol | 4-[(E)-2-(3,5-Dimethoxy-phenyl)-vinyl]-phenol | 4-[2-(3,5-Dimethoxy-phenyl)-vinyl]-phenol | CHEMBL83527 | E 4-[2-(3,5-Dimethoxy-phenyl)-vinyl]-phenol | Pterostilben | Pterostilbene
Type:
Small organic molecule
Emp. Form.:
C16H16O3
Mol. Mass.:
256.2964
SMILES:
COc1cc(OC)cc(\C=C\c2ccc(O)cc2)c1
Structure:
Search PDB for entries with ligand similarity: