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Target
Cytochrome P450 2C19
Ligand
BDBM50188302
Substrate
n/a
Meas. Tech.
ChEMBL_378648 (CHEMBL853469)
IC50
1600±n/a nM
Citation
 Birkinshaw, TN; Teague, SJ; Beech, C; Bonnert, RV; Hill, S; Patel, A; Reakes, S; Sanganee, H; Dougall, IG; Phillips, TT; Salter, S; Schmidt, J; Arrowsmith, EC; Carrillo, JJ; Bell, FM; Paine, SW; Weaver, R Discovery of potent CRTh2 (DP2) receptor antagonists. Bioorg Med Chem Lett 16:4287-90 (2006) [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:
BDBM50188302
Synonyms:
2-(1-(7-chloroquinolin-4-yl)-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid | CHEMBL213029
Type:
Small organic molecule
Emp. Form.:
C21H17ClN2O3
Mol. Mass.:
380.824
SMILES:
COc1ccc2n(c(C)c(CC(O)=O)c2c1)-c1ccnc2cc(Cl)ccc12 |(-9.26,-.49,;-7.93,.28,;-6.59,-.48,;-6.59,-2.03,;-5.26,-2.8,;-3.92,-2.03,;-2.44,-2.5,;-1.53,-1.24,;.01,-1.23,;-2.45,.01,;-1.98,1.47,;-.47,1.8,;.57,.66,;0,3.27,;-3.93,-.48,;-5.26,.29,;-1.96,-3.97,;-.45,-4.26,;.04,-5.72,;-.99,-6.88,;-2.5,-6.57,;-3.51,-7.71,;-5.01,-7.41,;-6.02,-8.56,;-5.5,-5.95,;-4.48,-4.8,;-2.98,-5.11,)|
Structure:
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