Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50252968
Substrate
n/a
Meas. Tech.
ChEMBL_539765 (CHEMBL1034983)
IC50
200±n/a nM
Citation
 Gangjee, A; Qiu, Y; Li, W; Kisliuk, RL Potent dual thymidylate synthase and dihydrofolate reductase inhibitors: classical and nonclassical 2-amino-4-oxo-5-arylthio-substituted-6-methylthieno[2,3-d]pyrimidine antifolates. J Med Chem 51:5789-97 (2008) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase
Synonyms:
Dihydrofolate reductase (F31V) | dfrA17
Type:
n/a
Mol. Mass.:
17532.46
Organism:
Escherichia coli
Description:
n/a
Residue:
157
Sequence:
MKISLISAVSESGVIGSGPDIPWSVKGEQLLFKALTYNQWLLVGRKTFDSMGVLPNRKYAVVSKNGISSSNENVLVFPSIENALKELSKVTDHVYVSGGGQIYNSLIEKADIIHLSTVHVEVEGDIKFPIMPENFNLVFEQFFMSNINYTYQIWKKG
  
Inhibitor
Name:
BDBM50252968
Synonyms:
CHEMBL522363 | N-{4-[(2-Amino-6-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-5-yl)sulfanyl]benzoyl}-L-glutamic acid
Type:
Small organic molecule
Emp. Form.:
C18H16N4O6S2
Mol. Mass.:
448.473
SMILES:
Cc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)C(=O)N(CCC(O)=O)C(O)=O
Structure:
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