Reaction Details |
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Target | Cytochrome P450 2C9 |
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Ligand | BDBM50573044 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2118793 (CHEMBL4827859) |
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IC50 | 8000±n/a nM |
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Citation | Papa, P; Whitefield, B; Mortensen, DS; Cashion, D; Huang, D; Torres, E; Parnes, J; Sapienza, J; Hansen, J; Correa, M; Delgado, M; Harris, R; Hegde, S; Norris, S; Bahmanyar, S; Plantevin-Krenitsky, V; Liu, Z; Leftheris, K; Kulkarni, A; Bennett, B; Hur, EM; Ringheim, G; Khambatta, G; Chan, H; Muir, J; Blease, K; Burnett, K; LeBrun, L; Morrison, L; Celeridad, M; Khattri, R; Cathers, BE Discovery of the Selective Protein Kinase C-? Kinase Inhibitor, CC-90005. J Med Chem64:11886-11903 (2021) [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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BDBM50573044 |
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n/a |
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Name | BDBM50573044 |
Synonyms: | CHEMBL4873647 |
Type | Small organic molecule |
Emp. Form. | C21H27F2N7O2 |
Mol. Mass. | 447.4816 |
SMILES | CC(F)(F)COc1ncncc1CNc1ncc(C#N)c(N[C@@H]2CC[C@H](O)C(C)(C)C2)n1 |r| |
Structure |
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