Reaction Details |
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Target | Cytochrome P450 2C9 |
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Ligand | BDBM50431376 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_949747 (CHEMBL2350845) |
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IC50 | 5000±n/a nM |
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Citation | Padilla, F; Bhagirath, N; Chen, S; Chiao, E; Goldstein, DM; Hermann, JC; Hsu, J; Kennedy-Smith, JJ; Kuglstatter, A; Liao, C; Liu, W; Lowrie, LE; Luk, KC; Lynch, SM; Menke, J; Niu, L; Owens, TD; O-Yang, C; Railkar, A; Schoenfeld, RC; Slade, M; Steiner, S; Tan, YC; Villaseñor, AG; Wang, C; Wanner, J; Xie, W; Xu, D; Zhang, X; Zhou, M; Lucas, MC Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors. J Med Chem56:1677-92 (2013) [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 |
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 |
Type: | Enzyme |
Mol. Mass.: | 55636.33 |
Organism: | Homo sapiens (Human) |
Description: | P11712 |
Residue: | 490 |
Sequence: | MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKV
YGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFM
KSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYID
LLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFK
KSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVP
PFYQLCFIPV
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BDBM50431376 |
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n/a |
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Name | BDBM50431376 |
Synonyms: | CHEMBL2347417 |
Type | Small organic molecule |
Emp. Form. | C26H28F2N8O2 |
Mol. Mass. | 522.5497 |
SMILES | CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)-c1nn(CCCN2CC(C2)C#N)c2ccc(OC(F)F)cc12 |
Structure |
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