Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50405995
Substrate
n/a
Meas. Tech.
ChEMBL_54732 (CHEMBL668772)
Ki
269±n/a nM
Citation
 Hansch, C; Li, R; Blaney, JM; Langridge, R Comparison of the inhibition of Escherichia coli and Lactobacillus casei dihydrofolate reductase by 2,4-diamino-5-(substituted-benzyl)pyrimidines: quantitative structure-activity relationships, X-ray crystallography, and computer graphics in structure-activity analysis. J Med Chem 25:777-84 (1982) [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:
BDBM50405995
Synonyms:
CHEMBL31055
Type:
Small organic molecule
Emp. Form.:
C13H15N5O2
Mol. Mass.:
273.2905
SMILES:
NC(=O)COc1cccc(Cc2cnc(N)nc2N)c1
Structure:
Search PDB for entries with ligand similarity: