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Target
Cytochrome P450 2D6
Ligand
BDBM50129275
Substrate
n/a
Meas. Tech.
ChEMBL_1523394 (CHEMBL3630421)
IC50
17900±n/a nM
Citation
 Zhao, Z; Pissarnitski, DA; Josien, HB; Wu, WL; Xu, R; Li, H; Clader, JW; Burnett, DA; Terracina, G; Hyde, L; Lee, J; Song, L; Zhang, L; Parker, EM Discovery of a Novel, Potent Spirocyclic Series of¿-Secretase Inhibitors. J Med Chem 58:8806-17 (2015) [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:
BDBM50129275
Synonyms:
CHEMBL3627955
Type:
Small organic molecule
Emp. Form.:
C20H17ClF5NO6S2
Mol. Mass.:
561.927
SMILES:
[H][C@@]12COc3c(F)ccc(F)c3[C@@]1(CCO[C@H]2CNS(=O)(=O)C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1 |r|
Structure:
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