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Target
Cytochrome P450 2C19
Ligand
BDBM50386859
Substrate
n/a
Meas. Tech.
ChEMBL_828497 (CHEMBL2050024)
IC50
>30000±n/a nM
Citation
 Buzard, DJ; Han, S; Lopez, L; Kawasaki, A; Moody, J; Thoresen, L; Ullman, B; Lehmann, J; Calderon, I; Zhu, X; Gharbaoui, T; Sengupta, D; Krishnan, A; Gao, Y; Edwards, J; Barden, J; Morgan, M; Usmani, K; Chen, C; Sadeque, A; Thatte, J; Solomon, M; Fu, L; Whelan, K; Liu, L; Al-Shamma, H; Gatlin, J; Le, M; Xing, C; Espinola, S; Jones, RM Fused tricyclic indoles as S1P1 agonists with robust efficacy in animal models of autoimmune disease. Bioorg Med Chem Lett 22:4404-9 (2012) [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:
BDBM50386859
Synonyms:
CHEMBL2048293
Type:
Small organic molecule
Emp. Form.:
C23H15F3N4O4
Mol. Mass.:
468.3848
SMILES:
OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Structure:
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