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Target
Cytochrome P450 2D6
Ligand
BDBM50416362
Substrate
n/a
Meas. Tech.
ChEMBL_643253 (CHEMBL1177064)
IC50
>24000±n/a nM
Citation
 Pinard, E; Alanine, A; Alberati, D; Bender, M; Borroni, E; Bourdeaux, P; Brom, V; Burner, S; Fischer, H; Hainzl, D; Halm, R; Hauser, N; Jolidon, S; Lengyel, J; Marty, HP; Meyer, T; Moreau, JL; Mory, R; Narquizian, R; Nettekoven, M; Norcross, RD; Puellmann, B; Schmid, P; Schmitt, S; Stalder, H; Wermuth, R; Wettstein, JG; Zimmerli, D Selective GlyT1 inhibitors: discovery of [4-(3-fluoro-5-trifluoromethylpyridin-2-yl)piperazin-1-yl][5-methanesulfonyl-2-((S)-2,2,2-trifluoro-1-methylethoxy)phenyl]methanone (RG1678), a promising novel medicine to treat schizophrenia. J Med Chem 53:4603-14 (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:
BDBM50416362
Synonyms:
CHEMBL2021600
Type:
Small organic molecule
Emp. Form.:
C24H29F4N3O4S
Mol. Mass.:
531.563
SMILES:
C[C@H](Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1F)C(F)(F)F)S(C)(=O)=O)C(C)(C)C |r|
Structure:
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