| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2C9 |
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| Ligand | BDBM50545573 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1996015 (CHEMBL4629910) |
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| IC50 | 6000±n/a nM |
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| Citation |  Fromont, C; Atzori, A; Kaur, D; Hashmi, L; Greco, G; Cabanillas, A; Nguyen, HV; Jones, DH; Garzón, M; Varela, A; Stevenson, B; Iacobini, GP; Lenoir, M; Rajesh, S; Box, C; Kumar, J; Grant, P; Novitskaya, V; Morgan, J; Sorrell, FJ; Redondo, C; Kramer, A; Harris, CJ; Leighton, B; Vickers, SP; Cheetham, SC; Kenyon, C; Grabowska, AM; Overduin, M; Berditchevski, F; Weston, CJ; Knapp, S; Fischer, PM; Butterworth, S Discovery of Highly Selective Inhibitors of Calmodulin-Dependent Kinases That Restore Insulin Sensitivity in the Diet-Induced Obesity J Med Chem63:6784-6801 (2020) [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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| BDBM50545573 |
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| n/a |
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| Name | BDBM50545573 |
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| Synonyms: | CHEMBL4635883 | US11530193, Example 54 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H31N7O |
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| Mol. Mass. | 397.5171 |
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| SMILES | CC(C)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(n1)C(C)C |r| |
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| Structure | 
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