Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50332373
Substrate
n/a
Meas. Tech.
ChEMBL_694809 (CHEMBL1639756)
IC50
>38000±n/a nM
Citation
 Pinard, E; Alberati, D; Bender, M; Borroni, E; 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; Norcross, RD; Schmid, P; Wermuth, R; Zimmerli, D Discovery of benzoylisoindolines as a novel class of potent, selective and orally active GlyT1 inhibitors. Bioorg Med Chem Lett 20:6960-5 (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:
BDBM50332373
Synonyms:
(S)-(5-chloroisoindolin-2-yl)(5-(methylsulfonyl)-2-(1,1,1-trifluoropropan-2-yloxy)phenyl)methanone | CHEMBL1631007
Type:
Small organic molecule
Emp. Form.:
C19H17ClF3NO4S
Mol. Mass.:
447.856
SMILES:
C[C@H](Oc1ccc(cc1C(=O)N1Cc2ccc(Cl)cc2C1)S(C)(=O)=O)C(F)(F)F |r|
Structure:
Search PDB for entries with ligand similarity: