Reaction Details Report a problem with these data
Target
Cytochrome P450 2C19
Ligand
BDBM50388532
Substrate
n/a
Meas. Tech.
ChEMBL_830277 (CHEMBL2060828)
IC50
>6000±n/a nM
Citation
 Nagle, A; Wu, T; Kuhen, K; Gagaring, K; Borboa, R; Francek, C; Chen, Z; Plouffe, D; Lin, X; Caldwell, C; Ek, J; Skolnik, S; Liu, F; Wang, J; Chang, J; Li, C; Liu, B; Hollenbeck, T; Tuntland, T; Isbell, J; Chuan, T; Alper, PB; Fischli, C; Brun, R; Lakshminarayana, SB; Rottmann, M; Diagana, TT; Winzeler, EA; Glynne, R; Tully, DC; Chatterjee, AK Imidazolopiperazines: lead optimization of the second-generation antimalarial agents. J Med Chem 55:4244-73 (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:
BDBM50388532
Synonyms:
CHEMBL2058833
Type:
Small organic molecule
Emp. Form.:
C22H23F2N5O
Mol. Mass.:
411.4477
SMILES:
CC1(C)N(CCn2c(Nc3ccc(F)cc3)c(nc12)-c1ccc(F)cc1)C(=O)CN
Structure:
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