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Target
Cytochrome P450 2C19
Ligand
BDBM50301832
Substrate
n/a
Meas. Tech.
ChEMBL_598208 (CHEMBL1047870)
IC50
3700±n/a nM
Citation
 Martyn, DC; Beletsky, G; Cortese, JF; Tyndall, E; Liu, H; Fitzgerald, MM; O'Shea, TJ; Liang, B; Clardy, J Synthesis and in vitro DMPK profiling of a 1,2-dioxolane-based library with activity against Plasmodium falciparum. Bioorg Med Chem Lett 19:5657-60 (2009) [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:
BDBM50301832
Synonyms:
2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-(2-(trifluoromethoxy)benzyl)acetamide | CHEMBL568242
Type:
Small organic molecule
Emp. Form.:
C19H24F3NO4
Mol. Mass.:
387.3934
SMILES:
CC1(CC(=O)NCc2ccccc2OC(F)(F)F)CC2(CCCCC2)OO1
Structure:
Search PDB for entries with ligand similarity: