Reaction Details |
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Target | Cytochrome P450 2C19 |
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Ligand | BDBM50186618 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_353250 (CHEMBL865089) |
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IC50 | 4000±n/a nM |
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Citation | Morwick, T; Berry, A; Brickwood, J; Cardozo, M; Catron, K; DeTuri, M; Emeigh, J; Homon, C; Hrapchak, M; Jacober, S; Jakes, S; Kaplita, P; Kelly, TA; Ksiazek, J; Liuzzi, M; Magolda, R; Mao, C; Marshall, D; McNeil, D; Prokopowicz, A; Sarko, C; Scouten, E; Sledziona, C; Sun, S; Watrous, J; Wu, JP; Cywin, CL Evolution of the thienopyridine class of inhibitors of IkappaB kinase-beta: part I: hit-to-lead strategies. J Med Chem49:2898-908 (2006) [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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BDBM50186618 |
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n/a |
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Name | BDBM50186618 |
Synonyms: | 3-amino-5-(4-fluoro-phenyl)-thiophene-2-carboxylic acid amide | CHEMBL207071 |
Type | Small organic molecule |
Emp. Form. | C11H9FN2OS |
Mol. Mass. | 236.265 |
SMILES | NC(=O)c1sc(cc1N)-c1ccc(F)cc1 |
Structure |
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