Target
Cytochrome P450 2D6
Ligand
BDBM50325623
Substrate
n/a
Meas. Tech.
ChEMBL_652285 (CHEMBL1225488)
IC50
13000±n/a nM
Citation
 Lucas, MCWeikert, RJCarter, DSCai, HYGreenhouse, RIyer, PSLin, CJLee, EKMadera, AMMoore, AOzboya, KSchoenfeld, RCSteiner, SZhai, YLynch, SM Design, synthesis, and biological evaluation of new monoamine reuptake inhibitors with potential therapeutic utility in depression and pain. Bioorg Med Chem Lett 20:5559-66 (2010) [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:
BDBM50325623
Synonyms:
(3,4-dichloro-5-fluorophenyl)(3-(3,3-dimethylbutyl)pyrrolidin-3-yl)methanone | CHEMBL1224401
Type:
Small organic molecule
Emp. Form.:
C17H22Cl2FNO
Mol. Mass.:
346.267
SMILES:
CC(C)(C)CCC1(CCNC1)C(=O)c1cc(F)c(Cl)c(Cl)c1
Structure:
Search PDB for entries with ligand similarity: