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Target
Cytochrome P450 2C19
Ligand
BDBM50329724
Substrate
n/a
Meas. Tech.
ChEMBL_674338 (CHEMBL1274538)
IC50
1400±n/a nM
Citation
 Yang, Z; Fairfax, DJ; Maeng, JH; Masih, L; Usyatinsky, A; Hassler, C; Isaacson, S; Fitzpatrick, K; DeOrazio, RJ; Chen, J; Harding, JP; Isherwood, M; Dobritsa, S; Christensen, KL; Wierschke, JD; Bliss, BI; Peterson, LH; Beer, CM; Cioffi, C; Lynch, M; Rennells, WM; Richards, JJ; Rust, T; Khmelnitsky, YL; Cohen, ML; Manning, DD Discovery of 2-substituted benzoxazole carboxamides as 5-HT3 receptor antagonists. Bioorg Med Chem Lett 20:6538-41 (2010) [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:
BDBM50329724
Synonyms:
CHEMBL1271960 | endo-2-((2S,6S)-2,6-dimethylpiperazin-1-yl)-N-((1R,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzo[d]oxazole-4-carboxamide
Type:
Small organic molecule
Emp. Form.:
C23H33N5O2
Mol. Mass.:
411.5404
SMILES:
C[C@H]1CNC[C@H](C)N1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:29:28:23.24.25:27.20.21|
Structure:
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