Reaction Details |
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Target | Thymidylate synthase |
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Ligand | BDBM50253009 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_539762 (CHEMBL1034980) |
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IC50 | >23000±n/a nM |
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Citation | Gangjee, A; Qiu, Y; Li, W; Kisliuk, RL Potent dual thymidylate synthase and dihydrofolate reductase inhibitors: classical and nonclassical 2-amino-4-oxo-5-arylthio-substituted-6-methylthieno[2,3-d]pyrimidine antifolates. J Med Chem51:5789-97 (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 |
Synonyms: | TS | TSase | Thymidylate Synthase (TS) | Thymidylate synthase | thyA |
Type: | n/a |
Mol. Mass.: | 30487.86 |
Organism: | Escherichia coli |
Description: | n/a |
Residue: | 264 |
Sequence: | MKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRCHLRSIIHELL
WFLQGDTNIAYLHENNVTIWDEWADENGDLGPVYGKQWRAWPTPDGRHIDQITTVLNQLK
NDPDSRRIIVSAWNVGELDKMALAPCHAFFQFYVADGKLSCQLYQRSCDVFLGLPFNIAS
YALLVHMMAQQCDLEVGDFVWIGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIF
DYRFEDFEIEGYDPHPGIKAPVAI
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BDBM50253009 |
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n/a |
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Name | BDBM50253009 |
Synonyms: | 2-Amino-5-[(2,5-dimethoxyphenyl)sulfanyl]-6-methylthieno[2,3-d]pyrimidin-4(3H)-one | CHEMBL492837 |
Type | Small organic molecule |
Emp. Form. | C15H16N4O3S |
Mol. Mass. | 332.378 |
SMILES | COc1ccc(OC)c(Sc2c(C)[nH]c3nc(N)[nH]c(=O)c23)c1 |
Structure |
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