| Reaction Details |
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 | Report a problem with these data |
| Target | Thymidylate synthase |
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| Ligand | BDBM50027656 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Inhibition Assay |
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| IC50 | 15000±n/a nM |
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| Citation |  Gangjee, A Tricyclic compounds having cytostatic and/or cytotoxic activity and methods of use thereof US Patent US9422297 Publication Date 8/23/2016 |
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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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| BDBM50027656 |
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| n/a |
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| Name | BDBM50027656 |
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| Synonyms: | CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | US9422297, Pemetrexed |
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| Type | Small organic molecule |
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| Emp. Form. | C20H21N5O6 |
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| Mol. Mass. | 427.4106 |
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| SMILES | Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |
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| Structure | 
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