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Target
Cytochrome P450 2C19
Ligand
BDBM50566497
Substrate
n/a
Meas. Tech.
ChEMBL_2100801 (CHEMBL4809197)
IC50
>10000000±n/a nM
Citation
 Armstrong, AJ; Henke, BR; Collado, MS; Taylor, JM; Pourtaheri, TD; Dillberger, JE; Roper, TD; Wamhoff, BR; Olson, MW; Figler, RA; Hoang, SA; Reardon, JE; Johns, BA Identification of 2,2-Dimethylbutanoic Acid (HST5040), a Clinical Development Candidate for the Treatment of Propionic Acidemia and Methylmalonic Acidemia. J Med Chem 64:5037-5048 (2021) [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 P450-11A | Cytochrome P450-254C | Fenbendazole monooxygenase (4'-hydroxylating) | Mephenytoin 4-hydroxylase
Type:
PROTEIN
Mol. Mass.:
55949.50
Organism:
Homo sapiens
Description:
ChEMBL_119703
Residue:
490
Sequence:
MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKIYGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFMESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYIDLIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFKKSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVPPFYQLCFIPV
  
Inhibitor
Name:
BDBM50566497
Synonyms:
2,2-DIMETHYLBUTYRATE | 2,2-Dimethyl-Butyric Acid | CHEBI:38649
Type:
Small organic molecule
Emp. Form.:
C6H12O2
Mol. Mass.:
116.1583
SMILES:
CCC(C)(C)C(O)=O
Structure:
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