| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2C9 |
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| Ligand | BDBM50182251 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1585819 (CHEMBL3821616) |
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| IC50 | <10000±n/a nM |
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| Citation |  Xu, H; Lu, H; Xu, Z; Luan, L; Li, C; Xu, Y; Dong, K; Zhang, J; Li, X; Li, Y; Liu, G; Gong, S; Zhao, YG; Liu, A; Zhang, Y; Zhang, W; Cai, X; Xiang, JN; Elliott, JD; Lin, X Discovery of CNS Penetrant CXCR2 Antagonists for the Potential Treatment of CNS Demyelinating Disorders. ACS Med Chem Lett7:397-402 (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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| BDBM50182251 |
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| n/a |
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| Name | BDBM50182251 |
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| Synonyms: | CHEMBL3819512 |
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| Type | Small organic molecule |
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| Emp. Form. | C19H20Cl2FN3O4S |
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| Mol. Mass. | 476.349 |
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| SMILES | CN1CCC(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O |
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| Structure | 
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