Reaction Details |
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Target | Thymidylate synthase |
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Ligand | BDBM18797 |
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Substrate/Competitor | BDBM18754 |
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Meas. Tech. | Thymidylate Synthase (TS) Assay |
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pH | 7.4±n/a |
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Temperature | 303.15±n/a K |
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IC50 | 270±n/a nM |
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Citation | Gangjee, A; Li, W; Yang, J; Kisliuk, RL Design, synthesis, and biological evaluation of classical and nonclassical 2-amino-4-oxo-5-substituted-6-methylpyrrolo[3,2-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors. J Med Chem51:68-76 (2008) [PubMed] Article |
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More Info.: | Get all data from this article, Solution Info, Assay Method |
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Thymidylate synthase |
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Name: | Thymidylate synthase |
Synonyms: | TS | TSase | TYSY_ECOLI | Thymidylate Synthase (TS) | thyA |
Type: | Enzyme |
Mol. Mass.: | 30475.81 |
Organism: | Escherichia coli |
Description: | n/a |
Residue: | 264 |
Sequence: | MKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRCHLRSIIHELL
WFLQGDTNIAYLHENNVTIWDEWADENGDLGPVYGKQWRAWPTPDGRHIDQITTVLNQLK
NDPDSRRIIVSAWNVGELDKMALAPCHAFFQFYVADGKLSCQLYQRSCDVFLGLPFNIAS
YALLVHMMAQQCDLEVGDFVWTGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIF
DYRFEDFEIEGYDPHPGIKAPVAI
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BDBM18797 |
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BDBM18754 |
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Name | BDBM18797 |
Synonyms: | (2S)-2-{[4-({2-amino-6-methyl-4-oxo-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}sulfanyl)phenyl]formamido}pentanedioic acid | CHEMBL225180 | Pyrrolo[2,3-d]pyrimidine analogue, 1 |
Type | Small organic molecule |
Emp. Form. | C19H19N5O6S |
Mol. Mass. | 445.449 |
SMILES | Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| |
Structure |
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