| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2C9 |
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| Ligand | BDBM50386859 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_828496 (CHEMBL2050023) |
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| IC50 | >30000±n/a nM |
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| Citation |  Buzard, DJ; Han, S; Lopez, L; Kawasaki, A; Moody, J; Thoresen, L; Ullman, B; Lehmann, J; Calderon, I; Zhu, X; Gharbaoui, T; Sengupta, D; Krishnan, A; Gao, Y; Edwards, J; Barden, J; Morgan, M; Usmani, K; Chen, C; Sadeque, A; Thatte, J; Solomon, M; Fu, L; Whelan, K; Liu, L; Al-Shamma, H; Gatlin, J; Le, M; Xing, C; Espinola, S; Jones, RM Fused tricyclic indoles as S1P1 agonists with robust efficacy in animal models of autoimmune disease. Bioorg Med Chem Lett22:4404-9 (2012) [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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| BDBM50386859 |
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| n/a |
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| Name | BDBM50386859 |
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| Synonyms: | CHEMBL2048293 |
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| Type | Small organic molecule |
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| Emp. Form. | C23H15F3N4O4 |
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| Mol. Mass. | 468.3848 |
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| SMILES | OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N |
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| Structure | 
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