Reaction Details |
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Target | Cytochrome P450 2C19 |
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Ligand | BDBM50233461 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1668431 (CHEMBL4018319) |
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IC50 | 1700±n/a nM |
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Citation | Wang, Y; Chen, Z; Dai, M; Sun, P; Wang, C; Gao, Y; Zhao, H; Zeng, W; Shen, L; Mao, W; Wang, T; Hu, G; Li, J; Chen, S; Long, C; Chen, X; Liu, J; Zhang, Y Discovery and optimization of selective FGFR4 inhibitors via scaffold hopping. Bioorg Med Chem Lett27:2420-2423 (2017) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Cytochrome P450 2C19 |
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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
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BDBM50233461 |
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n/a |
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Name | BDBM50233461 |
Synonyms: | CHEMBL4068896 |
Type | Small organic molecule |
Emp. Form. | C26H22Cl2N4O3 |
Mol. Mass. | 509.384 |
SMILES | COc1cc(OC)c(Cl)c(c1Cl)-c1ccc2nc(Nc3c(C)cccc3NC(=O)C=C)ncc2c1 |
Structure |
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