Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50063984
Substrate
n/a
Meas. Tech.
ChEMBL_52830 (CHEMBL665036)
IC50
650±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:
BDBM50063984
Synonyms:
5-((naphthalen-1-ylthio)methyl)furo[2,3-d]pyrimidine-2,4-diamine | 5-(Naphthalen-1-ylsulfanylmethyl)-furo[2,3-d]pyrimidine-2,4-diamine | CHEMBL283515
Type:
Small organic molecule
Emp. Form.:
C17H14N4OS
Mol. Mass.:
322.384
SMILES:
Nc1nc(N)c2c(CSc3cccc4ccccc34)coc2n1
Structure:
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