Reaction Details |
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Target | Cytochrome P450 2C19 |
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Ligand | BDBM50440355 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_983547 (CHEMBL2429617) |
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IC50 | >10000±n/a nM |
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Citation | Grädler, U; Bomke, J; Musil, D; Dresing, V; Lehmann, M; Hölzemann, G; Greiner, H; Esdar, C; Krier, M; Heinrich, T Fragment-based discovery of focal adhesion kinase inhibitors. Bioorg Med Chem Lett23:5401-9 (2013) [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: | CP2CJ_HUMAN | CYP2C19 | CYPIIC17 | CYPIIC19 | Cytochrome P450 2C19 (CYP2C19) | Cytochrome P450 2C19 [I331V] | 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
TTSTTLRYALLLLLKHPEVTAKVQEEIERVVGRNRSPCMQDRGHMPYTDAVVHEVQRYID
LIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFK
KSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVP
PFYQLCFIPV
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BDBM50440355 |
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n/a |
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Name | BDBM50440355 |
Synonyms: | CHEMBL2425159 |
Type | Small organic molecule |
Emp. Form. | C27H30N6O3 |
Mol. Mass. | 486.5655 |
SMILES | COc1cc(OC)nc(n1)-c1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)cc1 |
Structure |
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