| Reaction Details |
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 | Report a problem with these data |
| Target | Thymidylate synthase |
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| Ligand | BDBM50251175 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_530825 (CHEMBL969380) |
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| Ki | 3000±n/a nM |
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| Citation |  Corona, P; Loriga, M; Costi, MP; Ferrari, S; Paglietti, G Synthesis of N-(5,7-diamino-3-phenyl-quinoxalin-2-yl)-3,4,5-substituted anilines and N-[4[(5,7-diamino-3-phenylquinoxalin-2-yl)amino]benzoyl]-l-glutamic acid diethyl ester: evaluation of in vitro anti-cancer and anti-folate activities. Eur J Med Chem43:189-203 (2008) [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 | Thymidylate Synthase (TS) | Thymidylate synthase | thyA |
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| Type: | n/a |
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| Mol. Mass.: | 30487.86 |
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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
YALLVHMMAQQCDLEVGDFVWIGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIF
DYRFEDFEIEGYDPHPGIKAPVAI
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| BDBM50251175 |
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| n/a |
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| Name | BDBM50251175 |
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| Synonyms: | CHEMBL510652 | N-[4(5,7-Dinitro-3-phenyl-quinoxalin-2-ylamino)-benzoyl]glutamic acid diethyl ester |
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| Type | Small organic molecule |
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| Emp. Form. | C30H28N6O9 |
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| Mol. Mass. | 616.5781 |
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| SMILES | CCOC(=O)CCC(NC(=O)c1ccc(Nc2nc3cc(cc([N+]([O-])=O)c3nc2-c2ccccc2)[N+]([O-])=O)cc1)C(=O)OCC |
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| Structure | 
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