Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50243211
Substrate
n/a
Meas. Tech.
ChEMBL_491606 (CHEMBL945182)
IC50
250±n/a nM
Citation
 Wu, D; Pontillo, J; Ching, B; Hudson, S; Gao, Y; Fleck, BA; Gogas, K; Wade, WS Discovery of a potent, selective, and less flexible selective norepinephrine reuptake inhibitor (sNRI). Bioorg Med Chem Lett 18:4224-7 (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:
BDBM50243211
Synonyms:
(2S,4R)-N-methyl-4-(o-tolyloxy)-1,2,3,4-tetrahydronaphthalen-2-amine | CHEMBL486045
Type:
Small organic molecule
Emp. Form.:
C18H21NO
Mol. Mass.:
267.3654
SMILES:
CN[C@@H]1C[C@@H](Oc2ccccc2C)c2ccccc2C1 |r|
Structure:
Search PDB for entries with ligand similarity: