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Target
Cytochrome P450 2C19
Ligand
BDBM50585813
Substrate
n/a
Meas. Tech.
ChEMBL_2164038 (CHEMBL5048899)
IC50
30000±n/a nM
Citation
 Shi, Y; Wang, Y; Meng, W; Brigance, RP; Ryono, DE; Bolton, S; Zhang, H; Chen, S; Smirk, R; Tao, S; Tino, JA; Williams, KN; Sulsky, R; Nielsen, L; Ellsworth, B; Wong, MKY; Sun, JH; Leith, LW; Sun, D; Wu, DR; Gupta, A; Rampulla, R; Mathur, A; Chen, BC; Wang, A; Fuentes-Catanio, HG; Kunselman, L; Cap, M; Zalaznick, J; Ma, X; Liu, H; Taylor, JR; Zebo, R; Jones, B; Kalinowski, S; Swartz, J; Staal, A; O'Malley, K; Kopcho, L; Muckelbauer, JK; Krystek, SR; Spronk, SA; Marcinkeviciene, J; Everlof, G; Chen, XQ; Xu, C; Li, YX; Langish, RA; Yang, Y; Wang, Q; Behnia, K; Fura, A; Janovitz, EB; Pannacciulli, N; Griffen, S; Zinker, BA; Krupinski, J; Kirby, M; Whaley, J; Zahler, R; Barrish, JC; Robl, JA; Cheng, PTW Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 J Med Chem 65:4291-4317 (2022) [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:
BDBM50585813
Synonyms:
CHEMBL5072532
Type:
Small organic molecule
Emp. Form.:
C26H33N6O7P
Mol. Mass.:
572.55
SMILES:
CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3cnc(cn3)C(=O)N3CCC3)c2)n1)OCC
Structure:
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