Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50026307
Substrate
n/a
Meas. Tech.
ChEMBL_54735 (CHEMBL667186)
Ki
0.372±n/a nM
Citation
 Doweyko, AM The hypothetical active site lattice. An approach to modelling active sites from data on inhibitor molecules. J Med Chem 31:1396-406 (1988) [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:
BDBM50026307
Synonyms:
3-[5-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,3-dimethoxy-phenoxy]-propionic acid | CHEMBL13820
Type:
Small organic molecule
Emp. Form.:
C16H20N4O5
Mol. Mass.:
348.3538
SMILES:
COc1cc(Cc2cnc(N)nc2N)cc(OCCC(O)=O)c1OC
Structure:
Search PDB for entries with ligand similarity: