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TargetThymidylate synthase
LigandBDBM50012245
Substrate/Competitorn/a
Meas. Tech.ChEBML_208949
Ki 37±n/a nM
Citation Appelt, KBacquet, RJBartlett, CABooth, CLFreer, STFuhry, MAGehring, MRHerrmann, SMHowland, EFJanson, CA Design of enzyme inhibitors using iterative protein crystallographic analysis. J Med Chem34:1925-34 (1991) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Thymidylate synthase
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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BDBM50012245
n/a
NameBDBM50012245
Synonyms:6-{[(4-Benzenesulfonyl-3-trifluoromethyl-phenyl)-prop-2-ynyl-amino]-methyl}-2-methyl-3H-quinazolin-4-one | CHEMBL291548
TypeSmall organic molecule
Emp. Form.C26H20F3N3O3S
Mol. Mass.511.516
SMILESCc1nc2ccc(CN(CC#C)c3ccc(c(c3)C(F)(F)F)S(=O)(=O)c3ccccc3)cc2c(=O)[nH]1
Structure
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