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Target
Cytochrome P450 2D6
Ligand
BDBM50272728
Substrate
n/a
Meas. Tech.
ChEMBL_510094 (CHEMBL998748)
IC50
310±n/a nM
Citation
 Hudson, S; Kiankarimi, M; Eccles, W; Dwight, W; Mostofi, YS; Genicot, MJ; Fleck, BA; Gogas, K; Aparicio, A; Wang, H; Wen, J; Wade, WS Structure-activity relationships of chiral selective norepinephrine reuptake inhibitors (sNRI) with increased oxidative stability. Bioorg Med Chem Lett 18:4491-4 (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:
BDBM50272728
Synonyms:
((3S,4S)-4-(2-fluoro-6-methylphenoxy)-3,4-dihydro-1H-isochromen-3-yl)-N-methylmethanamine | CHEMBL497846
Type:
Small organic molecule
Emp. Form.:
C18H20FNO2
Mol. Mass.:
301.3553
SMILES:
CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1c(C)cccc1F |r|
Structure:
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