| Reaction Details |
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 | Report a problem with these data |
| Target | Thymidylate synthase |
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| Ligand | BDBM50077849 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_209135 (CHEMBL814653) |
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| Ki | 1000±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 |
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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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| BDBM50077849 |
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| n/a |
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| Name | BDBM50077849 |
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| Synonyms: | 3,3-Bis-(4-hydroxy-phenyl)-6-nitro-3H-benzo[de]isochromen-1-one | 3-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN-1-ONE | CHEMBL303950 |
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| Type | Small organic molecule |
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| Emp. Form. | C24H15NO6 |
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| Mol. Mass. | 413.379 |
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| SMILES | Oc1ccc(cc1)C1(OC(=O)c2cccc3c(ccc1c23)[N+]([O-])=O)c1ccc(O)cc1 |
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| Structure | 
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