| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2C9 |
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| Ligand | BDBM50175304 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1581103 (CHEMBL3813401) |
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| IC50 | 2100±n/a nM |
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| Citation |  Fader, L; Brault, M; Desjardins, J; Dansereau, N; Lamorte, L; Tremblay, S; Bilodeau, F; Bordeleau, J; Duplessis, M; Gorys, V; Gillard, J; Gleason, JL; James, C; Joly, MA; Kuhn, C; Llinas-Brunet, M; Luo, L; Morency, L; Morin, S; Parisien, M; Poirier, M; Thibeault, C; Trinh, T; Sturino, C; Srivastava, S; Yoakim, C; Franti, M Discovery of Potent, Orally Bioavailable Inhibitors of Human Cytomegalovirus. ACS Med Chem Lett7:525-30 (2016) [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 |
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| 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 |
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| Type: | Enzyme |
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| Mol. Mass.: | 55636.33 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P11712 |
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| Residue: | 490 |
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| Sequence: | MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKV
YGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFM
KSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYID
LLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFK
KSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVP
PFYQLCFIPV
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| BDBM50175304 |
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| n/a |
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| Name | BDBM50175304 |
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| Synonyms: | CHEMBL3808842 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H16F3N5O2S |
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| Mol. Mass. | 459.444 |
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| SMILES | CC(c1cccc(c1)C(F)(F)F)n1cnc(c1)-n1ccc(NC(=O)c2cscn2)cc1=O |
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| Structure | 
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