Reaction Details |
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Target | Thymidylate synthase |
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Ligand | BDBM50077847 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_209135 (CHEMBL814653) |
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Ki | 1500±n/a nM |
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Citation | Costi, PM; Rinaldi, M; Tondi, D; Pecorari, P; Barlocco, D; Ghelli, S; Stroud, RM; Santi, DV; Stout, TJ; Musiu, C; Marangiu, EM; Pani, A; Congiu, D; Loi, GA; La Colla, P Phthalein derivatives as a new tool for selectivity in thymidylate synthase inhibition. J Med Chem42:2112-24 (1999) [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 | 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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BDBM50077847 |
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n/a |
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Name | BDBM50077847 |
Synonyms: | 3-(4-Hydroxy-naphthalen-1-yl)-3-(4-hydroxy-phenyl)-3H-isobenzofuran-1-one | CHEMBL63528 |
Type | Small organic molecule |
Emp. Form. | C24H16O4 |
Mol. Mass. | 368.3814 |
SMILES | Oc1ccc(cc1)C1(OC(=O)c2ccccc12)c1ccc(O)c2ccccc12 |
Structure |
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