| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2C9 |
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| Ligand | BDBM28800 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_627456 (CHEMBL1116216) |
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| IC50 | >40000±n/a nM |
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| Citation |  Li, J; Kennedy, LJ; Shi, Y; Tao, S; Ye, XY; Chen, SY; Wang, Y; Hernández, AS; Wang, W; Devasthale, PV; Chen, S; Lai, Z; Zhang, H; Wu, S; Smirk, RA; Bolton, SA; Ryono, DE; Zhang, H; Lim, NK; Chen, BC; Locke, KT; O'Malley, KM; Zhang, L; Srivastava, RA; Miao, B; Meyers, DS; Monshizadegan, H; Search, D; Grimm, D; Zhang, R; Harrity, T; Kunselman, LK; Cap, M; Kadiyala, P; Hosagrahara, V; Zhang, L; Xu, C; Li, YX; Muckelbauer, JK; Chang, C; An, Y; Krystek, SR; Blanar, MA; Zahler, R; Mukherjee, R; Cheng, PT; Tino, JA Discovery of an oxybenzylglycine based peroxisome proliferator activated receptor alpha selective agonist 2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic acid (BMS-687453). J Med Chem53:2854-64 (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 |
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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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| BDBM28800 |
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| n/a |
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| Name | BDBM28800 |
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| Synonyms: | 2-{[(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}phenyl)methyl](methoxycarbonyl)amino}acetic acid | BMS-687453 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H21ClN2O6 |
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| Mol. Mass. | 444.865 |
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| SMILES | COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1 |
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| Structure | 
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