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Target
Cytochrome P450 2C19
Ligand
BDBM50103543
Substrate
n/a
Meas. Tech.
ChEMBL_1434166 (CHEMBL3383974)
IC50
>10000±n/a nM
Citation
 Scott, JS; Bowker, SS; Brocklehurst, KJ; Brown, HS; Clarke, DS; Easter, A; Ertan, A; Goldberg, K; Hudson, JA; Kavanagh, S; Laber, D; Leach, AG; MacFaul, PA; Martin, EA; McKerrecher, D; Schofield, P; Svensson, PH; Teague, J Circumventing seizure activity in a series of G protein coupled receptor 119 (GPR119) agonists. J Med Chem 57:8984-98 (2014) [PubMed]  Article 
Target
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:
MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKIYGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFMESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVVGRNRSPCMQDRGHMPYTDAVVHEVQRYIDLIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFKKSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVPPFYQLCFIPV
  
Inhibitor
Name:
BDBM50103543
Synonyms:
CHEMBL3358006
Type:
Small organic molecule
Emp. Form.:
C21H22F4N6O4S
Mol. Mass.:
530.496
SMILES:
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=O)=O)cc2F)cn1)c1nc(no1)C(F)(F)F |r|
Structure:
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