Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetDihydrofolate reductase
LigandBDBM50135144
Substrate/Competitorn/a
Meas. Tech.ChEMBL_54777 (CHEMBL884432)
IC50 196±n/a nM
Citation Gangjee, AAdair, OOQueener, SF Synthesis and biological evaluation of 2,4-diamino-6-(arylaminomethyl)pyrido[2,3-d]pyrimidines as inhibitors of Pneumocystis carinii and Toxoplasma gondii dihydrofolate reductase and as antiopportunistic infection and antitumor agents. J Med Chem46:5074-82 (2003) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Dihydrofolate reductase
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:
MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNI
ILSSQPGTDDRVTWVKSVDEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVE
GDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILERR
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50135144
n/a
NameBDBM50135144
Synonyms:6-{[Methyl-(3,4,5-trichloro-phenyl)-amino]-methyl}-pyrido[2,3-d]pyrimidine-2,4-diamine | CHEMBL149099
TypeSmall organic molecule
Emp. Form.C15H13Cl3N6
Mol. Mass.383.663
SMILESCN(Cc1cnc2nc(N)nc(N)c2c1)c1cc(Cl)c(Cl)c(Cl)c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: