| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2C9 |
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| Ligand | BDBM162872 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1571197 (CHEMBL3795958) |
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| IC50 | >50000±n/a nM |
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| Citation |  Walsh, SP; Shahripour, A; Tang, H; de Jesus, RK; Teumelsan, N; Zhu, Y; Frie, J; Priest, BT; Swensen, AM; Alonso-Galicia, M; Felix, JP; Brochu, RM; Bailey, T; Thomas-Fowlkes, B; Zhou, X; Pai, LY; Hampton, C; Hernandez, M; Owens, K; Ehrhart, J; Roy, S; Kaczorowski, GJ; Yang, L; Garcia, ML; Pasternak, A Differentiation of ROMK potency from hERG potency in the phenacetyl piperazine series through heterocycle incorporation. Bioorg Med Chem Lett26:2339-43 (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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| BDBM162872 |
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| n/a |
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| Name | BDBM162872 |
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| Synonyms: | US9056859, 72 |
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| Type | Small organic molecule |
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| Emp. Form. | C23H25N7O3 |
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| Mol. Mass. | 447.4897 |
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| SMILES | Cc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1ccc(nc1)-n1cnnn1 |
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| Structure | 
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