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Target
Cytochrome P450 2D6
Ligand
BDBM50233520
Substrate
n/a
Meas. Tech.
ChEBML_1650996
IC50
>100000±n/a nM
Citation
 Sandham, DA; Barker, L; Brown, L; Brown, Z; Budd, D; Charlton, SJ; Chatterjee, D; Cox, B; Dubois, G; Duggan, N; Hall, E; Hatto, J; Maas, J; Manini, J; Profit, R; Riddy, D; Ritchie, C; Sohal, B; Shaw, D; Stringer, R; Sykes, DA; Thomas, M; Turner, KL; Watson, SJ; West, R; Willard, E; Williams, G; Willis, J Discovery of Fevipiprant (NVP-QAW039), a Potent and Selective DP ACS Med Chem Lett 8:582-586 (2017) [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:
BDBM50233520
Synonyms:
Fevipiprant | NVP-QAW039 | QAW039
Type:
Small organic molecule
Emp. Form.:
C19H17F3N2O4S
Mol. Mass.:
426.409
SMILES:
Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1C(F)(F)F)S(C)(=O)=O
Structure:
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