Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50027972
Substrate
n/a
Meas. Tech.
ChEMBL_54735 (CHEMBL667186)
Ki
0.029±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:
BDBM50027972
Synonyms:
7-[2-Bromo-5-(2,4-diamino-pyrimidin-5-ylmethyl)-3-methoxy-phenoxy]-heptanoic acid | CHEMBL31713
Type:
Small organic molecule
Emp. Form.:
C19H25BrN4O4
Mol. Mass.:
453.33
SMILES:
COc1cc(Cc2cnc(N)nc2N)cc(OCCCCCCC(O)=O)c1Br
Structure:
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