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Target
Thymidylate synthase
Ligand
BDBM31777
Substrate
BDBM18754
Meas. Tech.
Thymidylate Synthase (TS) Assay
pH
7.4000±n/a
Temperature
303.1500±n/a K
IC50
18±n/a nM
Citation
 Gangjee, A; Li, W; Kisliuk, RL; Cody, V; Pace, J; Piraino, J; Makin, J Design, synthesis, and X-ray crystal structure of classical and nonclassical 2-amino-4-oxo-5-substituted-6-ethylthieno[2,3-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors and as potential antitumor agents. J Med Chem 52:4892-902 (2009) [PubMed]  Article 
Target
Name:
Thymidylate synthase
Synonyms:
TSase | TS | TYSY_ECOLI | thyA | Thymidylate Synthase (TS)
Type:
Enzyme
Mol. Mass.:
30475.81
Organism:
Escherichia coli (strain K12)
Description:
n/a
Residue:
264
Sequence:
MKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRCHLRSIIHELLWFLQGDTNIAYLHENNVTIWDEWADENGDLGPVYGKQWRAWPTPDGRHIDQITTVLNQLKNDPDSRRIIVSAWNVGELDKMALAPCHAFFQFYVADGKLSCQLYQRSCDVFLGLPFNIASYALLVHMMAQQCDLEVGDFVWTGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIFDYRFEDFEIEGYDPHPGIKAPVAI
  
Inhibitor
Name:
BDBM31777
Synonyms:
thieno[2,3-d]pyrimidine deriv., 2
Type:
Small organic molecule
Emp. Form.:
TBD
Mol. Mass.:
TBD
SMILES:
TBD
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM18754
Synonyms:
(2S)-2-[(4-{11-amino-13-oxo-2,4,8,10,12-pentaazatricyclo[7.4.0.0^{2,6}]trideca-1(9),11-dien-4-yl}phenyl)formamido]pentanedioate | 5,10-Methylene-THF | 5,10-Methylenetetrahydrofolate
Type:
Small organic molecule
Emp. Form.:
TBD
Mol. Mass.:
TBD
SMILES:
TBD
Structure:
Search PDB for entries with ligand similarity: