Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50258200
Substrate
n/a
Meas. Tech.
ChEMBL_497352 (CHEMBL999391)
IC50
82700±n/a nM
Citation
 Appiah-Opong, R; de Esch, I; Commandeur, JN; Andarini, M; Vermeulen, NP Structure-activity relationships for the inhibition of recombinant human cytochromes P450 by curcumin analogues. Eur J Med Chem 43:1621-31 (2008) [PubMed]  Article 
Target
Name:
Cytochrome P450 2D6
Synonyms:
CP2D6_HUMAN | CYP2D6 | CYP2DL1 | CYPIID6 | Cytochrome P450 2D6 (CYP2D6) | Debrisoquine 4-hydroxylase | P450-DB1
Type:
Protein
Mol. Mass.:
55774.82
Organism:
Homo sapiens (Human)
Description:
P10635
Residue:
497
Sequence:
MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR
  
Inhibitor
Name:
BDBM50258200
Synonyms:
(1E,4E)-1,5-bis(4-hydroxy-3,5-dimethoxyphenyl)penta-1,4-dien-3-one | 1,5-bis(4-hydroxy-3,5-dimethoxyphenyl)penta-1,4-dien-3-one | CHEMBL493001 | Go-Y026
Type:
Small organic molecule
Emp. Form.:
C21H22O7
Mol. Mass.:
386.3952
SMILES:
COc1cc(\C=C\C(=O)\C=C\c2cc(OC)c(O)c(OC)c2)cc(OC)c1O
Structure:
Search PDB for entries with ligand similarity: