| Reaction Details |
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 | Report a problem with these data |
| Target | Thymidylate synthase |
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| Ligand | BDBM50046646 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_208945 (CHEMBL814564) |
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| Ki | 140±n/a nM |
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| Citation |  Webber, SE; Bleckman, TM; Attard, J; Deal, JG; Kathardekar, V; Welsh, KM; Webber, S; Janson, CA; Matthews, DA; Smith, WW Design of thymidylate synthase inhibitors using protein crystal structures: the synthesis and biological evaluation of a novel class of 5-substituted quinazolinones. J Med Chem36:733-46 (1993) [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 |
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| Synonyms: | TS | TSase | Thymidylate Synthase (TS) | Thymidylate synthase | thyA |
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| Type: | n/a |
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| Mol. Mass.: | 30487.86 |
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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
YALLVHMMAQQCDLEVGDFVWIGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIF
DYRFEDFEIEGYDPHPGIKAPVAI
|
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|
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| BDBM50046646 |
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| n/a |
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| Name | BDBM50046646 |
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| Synonyms: | 2-Amino-6-methyl-5-(pyridazin-4-ylsulfanyl)-3H-quinazolin-4-one | CHEMBL349723 |
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| Type | Small organic molecule |
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| Emp. Form. | C13H11N5OS |
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| Mol. Mass. | 285.324 |
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| SMILES | Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccnnc1 |
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| Structure | 
|
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