| Reaction Details |
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 | Report a problem with these data |
| Target | Thymidylate synthase |
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| Ligand | BDBM50426854 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_938342 (CHEMBL2329016) |
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| Ki | 1900±n/a nM |
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| Citation |  Ferrari, S; Ingrami, M; Soragni, F; Wade, RC; Costi, MP Ligand-based discovery of N-(1,3-dioxo-1H,3H-benzo[de]isochromen-5-yl)-carboxamide and sulfonamide derivatives as thymidylate synthase A inhibitors. Bioorg Med Chem Lett23:663-8 (2013) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Thymidylate synthase |
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| Name: | Thymidylate synthase |
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| Synonyms: | TS | TSase | TYSY_ECOLI | Thymidylate Synthase (TS) | thyA |
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| Type: | Enzyme |
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| Mol. Mass.: | 30475.81 |
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| Organism: | Escherichia coli |
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| Description: | n/a |
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| Residue: | 264 |
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| Sequence: | MKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRCHLRSIIHELL
WFLQGDTNIAYLHENNVTIWDEWADENGDLGPVYGKQWRAWPTPDGRHIDQITTVLNQLK
NDPDSRRIIVSAWNVGELDKMALAPCHAFFQFYVADGKLSCQLYQRSCDVFLGLPFNIAS
YALLVHMMAQQCDLEVGDFVWTGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIF
DYRFEDFEIEGYDPHPGIKAPVAI
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| BDBM50426854 |
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| n/a |
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| Name | BDBM50426854 |
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| Synonyms: | CHEMBL2323362 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H13F3N2O5S2 |
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| Mol. Mass. | 506.474 |
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| SMILES | Cn1cc(cc1C(F)(F)F)-c1ccc(s1)S(=O)(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23 |
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| Structure | 
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