Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50429069
Substrate
n/a
Meas. Tech.
ChEMBL_943175 (CHEMBL2345751)
IC50
840±n/a nM
Citation
 Giovanni, A; Roehr, J; Dwyer, S; Neuenschwander, K; Scotese, A; Moorcroft, ND; Davis, L; Gao, Z Design and synthesis of D1 agonist/D2 antagonist for treatment of schizophrenia. Bioorg Med Chem Lett 23:1498-501 (2013) [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:
BDBM50429069
Synonyms:
CHEMBL2335736
Type:
Small organic molecule
Emp. Form.:
C21H22F3NO4
Mol. Mass.:
409.3989
SMILES:
COc1cc2CCN3CC[C@@](O)(C[C@@H]3c2cc1O)c1ccc(OC(F)(F)F)cc1 |r|
Structure:
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