Reaction Details |
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Target | Cytochrome P450 2C9 |
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Ligand | BDBM50416362 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_643254 (CHEMBL1177065) |
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IC50 | >24000±n/a nM |
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Citation | Pinard, E; Alanine, A; Alberati, D; Bender, M; Borroni, E; Bourdeaux, P; Brom, V; Burner, S; Fischer, H; Hainzl, D; Halm, R; Hauser, N; Jolidon, S; Lengyel, J; Marty, HP; Meyer, T; Moreau, JL; Mory, R; Narquizian, R; Nettekoven, M; Norcross, RD; Puellmann, B; Schmid, P; Schmitt, S; Stalder, H; Wermuth, R; Wettstein, JG; Zimmerli, D Selective GlyT1 inhibitors: discovery of [4-(3-fluoro-5-trifluoromethylpyridin-2-yl)piperazin-1-yl][5-methanesulfonyl-2-((S)-2,2,2-trifluoro-1-methylethoxy)phenyl]methanone (RG1678), a promising novel medicine to treat schizophrenia. J Med Chem53:4603-14 (2010) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Cytochrome P450 2C9 |
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Name: | Cytochrome P450 2C9 |
Synonyms: | (R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | CP2C9_HUMAN | CYP2C10 | CYP2C9 | CYPIIC9 | Cytochrome P450 2C9 (CYP2C9 ) | Cytochrome P450 2C9 (CYP2C9) | P-450MP | P450 MP-4/MP-8 | P450 PB-1 | S-mephenytoin 4-hydroxylase |
Type: | Enzyme |
Mol. Mass.: | 55636.33 |
Organism: | Homo sapiens (Human) |
Description: | P11712 |
Residue: | 490 |
Sequence: | MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKV
YGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFM
KSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYID
LLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFK
KSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVP
PFYQLCFIPV
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BDBM50416362 |
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n/a |
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Name | BDBM50416362 |
Synonyms: | CHEMBL2021600 |
Type | Small organic molecule |
Emp. Form. | C24H29F4N3O4S |
Mol. Mass. | 531.563 |
SMILES | C[C@H](Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1F)C(F)(F)F)S(C)(=O)=O)C(C)(C)C |r| |
Structure |
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