| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2C9 |
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| Ligand | BDBM50527645 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1903442 (CHEMBL4405664) |
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| IC50 | >40000±n/a nM |
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| Citation |  Beatty, JW; Lindsey, EA; Thomas-Tran, R; Debien, L; Mandal, D; Jeffrey, JL; Tran, AT; Fournier, J; Jacob, SD; Yan, X; Drew, SL; Ginn, E; Chen, A; Pham, AT; Zhao, S; Jin, L; Young, SW; Walker, NP; Leleti, MR; Moschütz, S; Sträter, N; Powers, JP; Lawson, KV Discovery of Potent and Selective Non-Nucleotide Small Molecule Inhibitors of CD73. J Med Chem63:3935-3955 (2020) [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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| BDBM50527645 |
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| n/a |
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| Name | BDBM50527645 |
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| Synonyms: | CHEMBL4527142 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H14Cl2N8O |
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| Mol. Mass. | 477.306 |
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| SMILES | Clc1ccc(Cn2nccc2-c2cc3n(nnc3cn2)-c2ccc3[nH]c(=O)[nH]c3c2)c(Cl)c1 |
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| Structure | 
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