Reaction Details Report a problem with these data
Target
Cytochrome P450 2C19
Ligand
BDBM50237536
Substrate
n/a
Meas. Tech.
ChEMBL_1661023 (CHEMBL4010635)
IC50
18800±n/a nM
Citation
 Kim, HJ; Kim, IS; Rehman, SU; Ha, SK; Nakamura, K; Yoo, HH Effects of 6-paradol, an unsaturated ketone from gingers, on cytochrome P450-mediated drug metabolism. Bioorg Med Chem Lett 27:1826-1830 (2017) [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:
BDBM50237536
Synonyms:
6-Shogaol | CHEBI:10138 | SHOGAOL | Trans-6-Shogaol
Type:
Small organic molecule
Emp. Form.:
C17H24O3
Mol. Mass.:
276.3707
SMILES:
CCCCC\C=C\C(=O)CCc1ccc(O)c(OC)c1
Structure:
Search PDB for entries with ligand similarity: