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Target
Cytochrome P450 2D6
Ligand
BDBM50513935
Substrate
n/a
Meas. Tech.
ChEMBL_1855074 (CHEMBL4355803)
IC50
>50000±n/a nM
Citation
 Selnick, HG; Hess, JF; Tang, C; Liu, K; Schachter, JB; Ballard, JE; Marcus, J; Klein, DJ; Wang, X; Pearson, M; Savage, MJ; Kaul, R; Li, TS; Vocadlo, DJ; Zhou, Y; Zhu, Y; Mu, C; Wang, Y; Wei, Z; Bai, C; Duffy, JL; McEachern, EJ Discovery of MK-8719, a Potent O-GlcNAcase Inhibitor as a Potential Treatment for Tauopathies. J Med Chem 62:10062-10097 (2019) [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:
BDBM50513935
Synonyms:
CHEMBL4554360
Type:
Small organic molecule
Emp. Form.:
C9H15FN2O3S
Mol. Mass.:
250.29
SMILES:
[H][C@]12O[C@H](CO)C(F)[C@H](O)[C@@]1([H])N=C(NCC)S2 |r,t:13|
Structure:
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