Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50443881
Substrate
n/a
Meas. Tech.
ChEMBL_1277839 (CHEMBL3097773)
IC50
22100±n/a nM
Citation
 Fukunaga, K; Uehara, F; Aritomo, K; Shoda, A; Hiki, S; Okuyama, M; Usui, Y; Watanabe, K; Yamakoshi, K; Kohara, T; Hanano, T; Tanaka, H; Tsuchiya, S; Sunada, S; Saito, K; Eguchi, J; Yuki, S; Asano, S; Tanaka, S; Mori, A; Yamagami, K; Baba, H; Horikawa, T; Fujimura, M 2-(2-Phenylmorpholin-4-yl)pyrimidin-4(3H)-ones; a new class of potent, selective and orally active glycogen synthase kinase-3ß inhibitors. Bioorg Med Chem Lett 23:6933-7 (2013) [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:
BDBM50443881
Synonyms:
CHEMBL3091531
Type:
Small organic molecule
Emp. Form.:
C20H18F2N4O2
Mol. Mass.:
384.3793
SMILES:
Cn1c(nc(cc1=O)-c1ccncc1F)N1CCO[C@H](C1)c1ccc(F)cc1 |r|
Structure:
Search PDB for entries with ligand similarity: