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TargetThymidylate Synthase (TS)
LigandBDBM18245
Substrate/CompetitorBDBM18754
Meas. Tech.Dihydrofolate Reductase (DHFR) Assay
IC50>180000±n/a nM
Citation Gangjee ALin XKisliuk RLMcGuire JJ Synthesis of N-{4-[(2,4-diamino-5-methyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)thio]benzoyl}-L-glutamic acid and N-{4-[(2-amino-4-oxo-5-methyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)thio]benzoyl}-L-glutamic acid as dual inhibitors of dihydrofolate reductase and thymidylate synthase and a J Med Chem 48:7215-22 (2005) [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:
BDBM18245
BDBM18754
NameBDBM18245
Synonyms:(2S)-2-{[4-({2,4-diamino-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl}sulfanyl)phenyl]formamido}pentanedioic acid | N-{4-[(2,4-diamino-5-methyl-7H-pyrrolo[2,3-d]-pyrimidin-6-yl)sulfanyl]benzoyl}-L-glutamic acid | Pyrrolo[2, 3-d]pyrimidine analogue, 1a
TypeSmall organic molecule
Emp. Form.C19H20N6O5S
Mol. Mass.444.464
SMILESCc1c(Sc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)[nH]c2nc(N)nc(N)c12 |r|
Structure
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