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Target
Cytochrome P450 2C19
Ligand
BDBM50243975
Substrate
n/a
Meas. Tech.
ChEMBL_2298107
IC50
38000±n/a nM
Citation
 Jurica, EA; Wu, X; Williams, KN; Haque, LE; Rampulla, RA; Mathur, A; Zhou, M; Cao, G; Cai, H; Wang, T; Liu, H; Xu, C; Kunselman, LK; Antrilli, TM; Hicks, MB; Sun, Q; Dierks, EA; Apedo, A; Moore, DB; Foster, KA; Cvijic, ME; Panemangalore, R; Khandelwal, P; Wilkes, JJ; Zinker, BA; Robertson, DG; Janovitz, EB; Galella, M; Li, YX; Li, J; Ramar, T; Jalagam, PR; Jayaram, R; Whaley, JM; Barrish, JC; Robl, JA; Ewing, WR; Ellsworth, BA Optimization of physicochemical properties of pyrrolidine GPR40 AgoPAMs results in a differentiated profile with improved pharmacokinetics and reduced off-target activities. Bioorg Med Chem 85:0 (2023) [PubMed]
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:
BDBM50243975
Synonyms:
CHEMBL4080226
Type:
Small organic molecule
Emp. Form.:
C25H28ClF3N4O4
Mol. Mass.:
540.962
SMILES:
COc1cc(N2CC[C@@H](Oc3ccc(cc3)N3N=C([C@@H](C)[C@@H]3CC(O)=O)C(F)(F)F)[C@H](C)C2)c(Cl)cn1 |r,c:18|
Structure:
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