Reaction Details |
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Target | Thymidylate synthase |
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Ligand | BDBM50100249 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_208758 (CHEMBL812312) |
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IC50 | >1200±n/a nM |
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Citation | Gangjee, A; Vidwans, A; Elzein, E; McGuire, JJ; Queener, SF; Kisliuk, RL Synthesis, antifolate, and antitumor activities of classical and nonclassical 2-amino-4-oxo-5-substituted-pyrrolo[2,3-d]pyrimidines. J Med Chem44:1993-2003 (2001) [PubMed] |
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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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BDBM50100249 |
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n/a |
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Name | BDBM50100249 |
Synonyms: | 2-{4-[(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-ylmethyl)-amino]-benzoylamino}-pentanedioic acid | CHEMBL61708 |
Type | Small organic molecule |
Emp. Form. | C19H20N6O6 |
Mol. Mass. | 428.3987 |
SMILES | Nc1nc2[nH]cc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |
Structure |
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