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TargetThymidylate Synthase (TS)
LigandBDBM18771
Substrate/CompetitorBDBM18754
Meas. Tech.Thymidylate Synthase (TS) Assay
IC50 19±n/a nM
Citation Gangjee ALi WYang JKisliuk RL Design, synthesis, and biological evaluation of classical and nonclassical 2-amino-4-oxo-5-substituted-6-methylpyrrolo[3,2-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors. J Med Chem 51:68-76 (2008) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Thymidylate Synthase (TS)
Name:Thymidylate Synthase (TS)
Synonyms:TS | TSase
Type:Enzyme
Mol. Mass.:30475.81
Organism:Escherichia coli
Description:n/a
Residue:264
Sequence:
MKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRCHLRSIIHELL
WFLQGDTNIAYLHENNVTIWDEWADENGDLGPVYGKQWRAWPTPDGRHIDQITTVLNQLK
NDPDSRRIIVSAWNVGELDKMALAPCHAFFQFYVADGKLSCQLYQRSCDVFLGLPFNIAS
YALLVHMMAQQCDLEVGDFVWTGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIF
DYRFEDFEIEGYDPHPGIKAPVAI
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  Blast E-value cutoff:
BDBM18771
BDBM18754
NameBDBM18771
Synonyms:(2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}phenyl)formamido]pentanedioic acid | CB3717 | CHEMBL389051 | PDDF
TypeSmall organic molecule
Emp. Form.C24H23N5O6
Mol. Mass.477.4693
SMILESNc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|
Structure
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