Reaction Details |
| Report a problem with these data |
Target | Cytochrome P450 2C19 |
---|
Ligand | BDBM50326133 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_657964 (CHEMBL1248643) |
---|
IC50 | 4000±n/a nM |
---|
Citation | Bromidge, SM; Arban, R; Bertani, B; Bison, S; Borriello, M; Cavanni, P; Dal Forno, G; Di-Fabio, R; Donati, D; Fontana, S; Gianotti, M; Gordon, LJ; Granci, E; Leslie, CP; Moccia, L; Pasquarello, A; Sartori, I; Sava, A; Watson, JM; Worby, A; Zonzini, L; Zucchelli, V Design and synthesis of novel tricyclic benzoxazines as potent 5-HT(1A/B/D) receptor antagonists leading to the discovery of 6-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide (GSK588045). J Med Chem53:5827-43 (2010) [PubMed] Article |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
Cytochrome P450 2C19 |
---|
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: | MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKI
YGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFM
ESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYID
LIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFK
KSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVP
PFYQLCFIPV
|
|
|
BDBM50326133 |
---|
n/a |
---|
Name | BDBM50326133 |
Synonyms: | 6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)ethyl)-4H-benzo[b]imidazo[1,2-d][1,4]oxazine | CHEMBL1242904 |
Type | Small organic molecule |
Emp. Form. | C26H27N5O |
Mol. Mass. | 425.5255 |
SMILES | Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2nccn-32)CC1 |
Structure |
|