Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM18046
Substrate
n/a
Meas. Tech.
Inhibition Assay
Ki
150±0.0 nM
Citation
 Li, X; Zolli-Juran, M; Cechetto, JD; Daigle, DM; Wright, GD; Brown, ED Multicopy suppressors for novel antibacterial compounds reveal targets and drug efflux susceptibility. Chem Biol 11:1423-30 (2004) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase
Synonyms:
Bacterial dihydrofolate reductase | DYR_ECOLI | Dihydrofolate Reductase (DHFR) | Tetrahydrofolate dehydrogenase | folA | tmrA
Type:
Enzyme
Mol. Mass.:
17991.61
Organism:
Escherichia coli
Description:
E. coli DHFR was expressed in BL21, and purified to homogeneity.
Residue:
159
Sequence:
MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTDDRVTWVKSVDEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILERR
  
Inhibitor
Name:
BDBM18046
Synonyms:
5-((4-methylphenyl)thio)-quinazoline 2,4-diamine, 1 | 5-[(4-METHYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDIAMINE | 5-[(4-methylphenyl)sulfanyl]quinazoline-2,4-diamine | 5-[(4-methylphenyl)sulfanyl]quinazoline-2,4-diamine, 2c | CHEMBL83547 | GW578
Type:
Small organic molecule
Emp. Form.:
C15H14N4S
Mol. Mass.:
282.363
SMILES:
Cc1ccc(Sc2cccc3nc(N)nc(N)c23)cc1
Structure:
Search PDB for entries with ligand similarity: