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Target
Cytochrome P450 2C19
Ligand
BDBM50516168
Substrate
n/a
Meas. Tech.
ChEMBL_1863412 (CHEMBL4364387)
IC50
>10000±n/a nM
Citation
 Harvey, AJ; Avery, TD; Schaeffer, L; Joseph, C; Huff, BC; Singh, R; Morice, C; Giethlen, B; Grishin, AA; Coles, CJ; Kolesik, P; Wagner, S; Andriambeloson, E; Huyard, B; Poiraud, E; Paul, D; O'Connor, SM Discovery of BNC375, a Potent, Selective, and Orally Available Type I Positive Allosteric Modulator of ?7 nAChRs. ACS Med Chem Lett 10:754-760 (2019) [PubMed]  Article 
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:
BDBM50516168
Synonyms:
CHEMBL4541269
Type:
Small organic molecule
Emp. Form.:
C19H23ClN2O3S
Mol. Mass.:
394.916
SMILES:
COc1ccc(Cl)cc1NCC1C(c2ccc(cc2)S(N)(=O)=O)C1(C)C
Structure:
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