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Target
Cytochrome P450 2D6
Ligand
BDBM50022784
Substrate
n/a
Meas. Tech.
ChEMBL_558436 (CHEMBL963842)
IC50
2000±n/a nM
Citation
 Pontillo, J; Wu, D; Ching, B; Hudson, S; Genicot, MJ; Gao, Y; Ewing, T; Fleck, BA; Gogas, K; Aparicio, A; Wang, H; Wen, J; Wade, WS Synthesis and structure-activity relationships of selective norepinephrine reuptake inhibitors (sNRI) with improved pharmaceutical characteristics. Bioorg Med Chem Lett 18:6151-5 (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:
BDBM50022784
Synonyms:
(R)-N-methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine | ATOMOXETINE | CHEMBL641 | Methyl-((R)-3-phenyl-3-o-tolyloxy-propyl)-amine | Methyl-(3-phenyl-3-o-tolyloxy-propyl)-amine | Methyl-(3-phenyl-3-o-tolyloxy-propyl)-amine(tomoxetine) | Strattera | Tomoxetine
Type:
Small organic molecule
Emp. Form.:
C17H21NO
Mol. Mass.:
255.3547
SMILES:
CNCCC(Oc1ccccc1C)c1ccccc1
Structure:
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