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TargetCytochrome P450 2C19
LigandBDBM50149566
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1558264 (CHEMBL3772398)
IC50>50000±n/a nM
Citation Demont, EHBailey, JMBit, RABrown, JACampbell, CADeeks, NDowell, SJEldred, CGaskin, PGray, JRHaynes, AHirst, DJHolmes, DSKumar, UMorse, MAOsborne, GJRenaux, JFSeal, GASmethurst, CATaylor, SWatson, RWillis, RWitherington, J Discovery of Tetrahydropyrazolopyridine as Sphingosine 1-Phosphate Receptor 3 (S1P3)-Sparing S1P1 Agonists Active at Low Oral Doses. J Med Chem59:1003-20 (2016) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cytochrome P450 2C19
Name:Cytochrome P450 2C19
Synonyms:CP2CJ_HUMAN | CYP2C19 | CYPIIC17 | CYPIIC19 | Cytochrome P450 2C19 (CYP2C19) | Cytochrome P450 2C19 [I331V] | 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:
BDBM50149566
n/a
NameBDBM50149566
Synonyms:CHEMBL3769933
TypeSmall organic molecule
Emp. Form.C21H24ClN5O3S
Mol. Mass.461.965
SMILESCC(C)Oc1ccc(cc1Cl)-c1nnc(s1)-n1nc2CCN(CCC(O)=O)Cc2c1C
Structure
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