Reaction Details 
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Cytochrome P450 2C19
Ligand
BDBM50555233
Substrate
n/a
Meas. Tech.
ChEMBL_2051619 (CHEMBL4706318)
IC50
>50000±n/a nM
Citation
Davies, DT; Leiris, S; Zalacain, M; Sprynski, N; Castandet, J; Bousquet, J; Lozano, C; Llanos, A; Alibaud, L; Vasa, S; Pattipati, R; Valige, R; Kummari, B; Pothukanuri, S; De Piano, C; Morrissey, I; Holden, K; Warn, P; Marcoccia, F; Benvenuti, M; Pozzi, C; Tassone, G; Mangani, S; Docquier, JD; Pallin, D; Elliot, R; Lemonnier, M; Everett, M Discovery of J Med Chem 63:15802-15820 (2020) [PubMed] ArticleMore Info.:
Target
Name:
Cytochrome P450 2C19
Synonyms:
(R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | (S)-limonene 7-monooxygenase | CP2CJ_HUMAN | CYP2C19 | CYPIIC17 | CYPIIC19 | Cytochrome P450 2C19 (CYP2C19) | Cytochrome P450 2C19 [I331V] | Cytochrome P450-11A | Cytochrome P450-254C | Fenbendazole monooxygenase (4'-hydroxylating) | Mephenytoin 4-hydroxylase | P450-11A | P450-254C
Type:
Enzyme
Mol. Mass.:
55935.47
Organism:
Homo sapiens (Human)
Description:
P33261
Residue:
490
Sequence:
MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKIYGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFMESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYIDLIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFKKSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVPPFYQLCFIPV
Inhibitor
Name:
BDBM50555233
Synonyms:
CHEMBL4753698
Type:
Small organic molecule
Emp. Form.:
C6H8FN2NaO5S
Mol. Mass.:
262.191
SMILES:
[Na;v0+].[H][C@]12[#6]-[#7](-[#6@H](F)-[#6]-[#6]1)-[#6](=O)-[#7]2-[#8]S([#8-])(=O)=O |r|
Structure:
