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Target
Cytochrome P450 2C19
Ligand
BDBM50236004
Substrate
n/a
Meas. Tech.
ChEMBL_1660009 (CHEMBL4009621)
IC50
17000±n/a nM
Citation
 Bursavich, MG; Harrison, BA; Acharya, R; Costa, DE; Freeman, EA; Hodgdon, HE; Hrdlicka, LA; Jin, H; Kapadnis, S; Moffit, JS; Murphy, DA; Nolan, S; Patzke, H; Tang, C; Wen, M; Koenig, G; Blain, JF; Burnett, DA Design, Synthesis, and Evaluation of a Novel Series of Oxadiazine Gamma Secretase Modulators for Familial Alzheimer's Disease. J Med Chem 60:2383-2400 (2017) [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:
BDBM50236004
Synonyms:
CHEMBL4101809
Type:
Small organic molecule
Emp. Form.:
C21H19N5O3
Mol. Mass.:
389.4073
SMILES:
COc1nc(ccc1-n1cnc(C)c1)C1=NOC[C@@H](N1)c1cc2ccccc2o1 |r,t:16|
Structure:
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