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Target
Cytochrome P450 2D6
Ligand
BDBM50011135
Substrate
n/a
Meas. Tech.
ChEMBL_1351382 (CHEMBL3266595)
IC50
16000±n/a nM
Citation
 Pinard, E; Alberati, D; Alvarez-Sanchez, R; Brom, V; Burner, S; Fischer, H; Hauser, N; Kolczewski, S; Lengyel, J; Mory, R; Saladin, C; Schulz-Gasch, T; Stalder, H 3-Amido-3-aryl-piperidines: A Novel Class of Potent, Selective, and Orally Active GlyT1 Inhibitors. ACS Med Chem Lett 5:428-33 (2014) [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:
BDBM50011135
Synonyms:
CHEMBL3259928
Type:
Small organic molecule
Emp. Form.:
C22H25F3N2O2S
Mol. Mass.:
438.506
SMILES:
COc1cc(cc(SC)c1C(=O)N[C@]1(CCCN(C)C1)c1ccccc1)C(F)(F)F |r|
Structure:
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