Reaction Details |
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Target | Thymidylate synthase |
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Ligand | BDBM50011244 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_208949 |
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Ki | 25±n/a nM |
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Citation | Appelt, K; Bacquet, RJ; Bartlett, CA; Booth, CL; Freer, ST; Fuhry, MA; Gehring, MR; Herrmann, SM; Howland, EF; Janson, CA Design of enzyme inhibitors using iterative protein crystallographic analysis. J Med Chem34:1925-34 (1991) [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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BDBM50011244 |
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n/a |
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Name | BDBM50011244 |
Synonyms: | 6-{[(4-Benzenesulfonyl-phenyl)-prop-2-ynyl-amino]-methyl}-2-methyl-3H-quinazolin-4-one | CHEMBL417222 |
Type | Small organic molecule |
Emp. Form. | C25H21N3O3S |
Mol. Mass. | 443.518 |
SMILES | Cc1nc2ccc(CN(CC#C)c3ccc(cc3)S(=O)(=O)c3ccccc3)cc2c(=O)[nH]1 |
Structure |
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