Reaction Details |
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Target | Cytochrome P450 2C19 |
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Ligand | BDBM50317630 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_632902 (CHEMBL1107484) |
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IC50 | >7500±n/a nM |
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Citation | Goodnow, RA; Hicks, A; Sidduri, A; Kowalczyk, A; Dominique, R; Qiao, Q; Lou, JP; Gillespie, P; Fotouhi, N; Tilley, J; Cohen, N; Choudhry, S; Cavallo, G; Tannu, SA; Ventre, JD; Lavelle, D; Tare, NS; Oh, H; Lamb, M; Kurylko, G; Hamid, R; Wright, MB; Pamidimukkala, A; Egan, T; Gubler, U; Hoffman, AF; Wei, X; Li, YL; O'Neil, J; Marcano, R; Pozzani, K; Molinaro, T; Santiago, J; Singer, L; Hargaden, M; Moore, D; Catala, AR; Chao, LC; Hermann, G; Venkat, R; Mancebo, H; Renzetti, LM Discovery of novel and potent leukotriene B4 receptor antagonists. Part 1. J Med Chem53:3502-16 (2010) [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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BDBM50317630 |
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n/a |
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Name | BDBM50317630 |
Synonyms: | 4-(3-(6-(5-(benzo[d][1,3]dioxol-5-yl)-2'-fluorobiphenyl-3-yloxy)hexyl)-2-(2-carboxyethyl)phenoxy)butanoic acid | CHEMBL1094349 |
Type | Small organic molecule |
Emp. Form. | C38H39FO8 |
Mol. Mass. | 642.7099 |
SMILES | OC(=O)CCCOc1cccc(CCCCCCOc2cc(cc(c2)-c2ccccc2F)-c2ccc3OCOc3c2)c1CCC(O)=O |
Structure |
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