Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCytochrome P450 2C19
LigandBDBM31772
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1436763
IC50 17900±n/a nM
Citation Han MSong CJeong NHahn HG Exploration of 3-Aminoazetidines as Triple Reuptake Inhibitors by Bioisosteric Modification of 3-a-Oxyazetidine. ACS Med Chem Lett 5:999-1004 (2014) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cytochrome P450 2C19
Name:Cytochrome P450 2C19
Synonyms:CYPIIC17 | CYPIIC19 | Cytochrome P450 2C19 (CYP2C19) | Mephenytoin 4-hydroxylase | P450-11A | P450-254C
Type:Enzyme
Mol. Mass.:55935.47
Organism:Homo sapiens (Human)
Description:P33261
Residue:490
Sequence:
MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKI
YGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFM
ESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVVGRNRSPCMQDRGHMPYTDAVVHEVQRYID
LIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFK
KSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVP
PFYQLCFIPV
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM31772
n/a
NameBDBM31772
Synonyms:1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid | Brentan | CHEMBL91 | Dactarin | Miconazole | US9138393, Miconazole Nitrate | US9144538, Miconazole Nitrate | cid_4189
TypeSmall organic molecule
Emp. Form.C18H14Cl4N2O
Mol. Mass.416.129
SMILESClc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: