Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50108176
Substrate
n/a
Meas. Tech.
ChEMBL_52830 (CHEMBL665036)
IC50
250±n/a nM
Citation
 Rosowsky, A; Forsch, RA; Queener, SF Inhibition of Pneumocystis carinii, Toxoplasma gondii, and Mycobacterium avium dihydrofolate reductases by 2,4-diamino-5-[2-methoxy-5-(omega-carboxyalkyloxy)benzyl]pyrimidines: marked improvement in potency relative to trimethoprim and species selectivity relative to piritrexim. J Med Chem 45:233-41 (2001) [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:
BDBM50108176
Synonyms:
4-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-phenoxy]-butyric acid | CHEMBL37696
Type:
Small organic molecule
Emp. Form.:
C16H20N4O4
Mol. Mass.:
332.3544
SMILES:
COc1ccc(OCCCC(O)=O)cc1Cc1cnc(N)nc1N
Structure:
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