Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50130950
Substrate
n/a
Meas. Tech.
Inhibition Assay
Ki
38±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:
BDBM50130950
Synonyms:
5-(4-Chloro-phenylsulfanyl)-quinazoline-2,4-diamine | 5-[(4-chlorophenyl)sulfanyl]quinazoline-2,4-diamine | 5-[(4-chlorophenyl)sulfanyl]quinazoline-2,4-diamine, 2d | CHEMBL310759
Type:
Small organic molecule
Emp. Form.:
C14H11ClN4S
Mol. Mass.:
302.782
SMILES:
Nc1nc(N)c2c(Sc3ccc(Cl)cc3)cccc2n1
Structure:
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