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Target
Cytochrome P450 2D6
Ligand
BDBM50339996
Substrate
n/a
Meas. Tech.
ChEMBL_740012 (CHEMBL1763072)
IC50
1000±n/a nM
Citation
 Cheshire, DR; Åberg, A; Andersson, GM; Andrews, G; Beaton, HG; Birkinshaw, TN; Boughton-Smith, N; Connolly, S; Cook, TR; Cooper, A; Cooper, SL; Cox, D; Dixon, J; Gensmantel, N; Hamley, PJ; Harrison, R; Hartopp, P; Käck, H; Leeson, PD; Luker, T; Mete, A; Millichip, I; Nicholls, DJ; Pimm, AD; St-Gallay, SA; Wallace, AV The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS). Bioorg Med Chem Lett 21:2468-71 (2011) [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:
BDBM50339996
Synonyms:
(R)-4-chloro-2-(3-(methylamino)-1-phenylpropoxy)benzonitrile hydrochloride | CHEMBL1762472
Type:
Small organic molecule
Emp. Form.:
C17H17ClN2O
Mol. Mass.:
300.783
SMILES:
CNCC[C@@H](Oc1cc(Cl)ccc1C#N)c1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity: