Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50029763
Substrate
n/a
Meas. Tech.
ChEMBL_52830 (CHEMBL665036)
IC50
2600±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:
BDBM50029763
Synonyms:
5-(3,5-Diethoxy-4-pyrrol-1-yl-benzyl)-pyrimidine-2,4-diamine | CHEMBL280378 | Epiroprim | TCMDC-137295
Type:
Small organic molecule
Emp. Form.:
C19H23N5O2
Mol. Mass.:
353.4182
SMILES:
CCOc1cc(Cc2cnc(N)nc2N)cc(OCC)c1-n1cccc1
Structure:
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