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Target
Cytochrome P450 2D6
Ligand
BDBM50462002
Substrate
n/a
Meas. Tech.
ChEMBL_1772302 (CHEMBL4224414)
IC50
5100±n/a nM
Citation
 Nakahara, K; Fuchino, K; Komano, K; Asada, N; Tadano, G; Hasegawa, T; Yamamoto, T; Sako, Y; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI Discovery of Potent and Centrally Active 6-Substituted 5-Fluoro-1,3-dihydro-oxazine ?-Secretase (BACE1) Inhibitors via Active Conformation Stabilization. J Med Chem 61:5525-5546 (2018) [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:
BDBM50462002
Synonyms:
CHEMBL4226994
Type:
Small organic molecule
Emp. Form.:
C19H18F5N5O3
Mol. Mass.:
459.3699
SMILES:
CC(F)(F)[C@H]1OC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,c:7|
Structure:
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