Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50135142
Substrate
n/a
Meas. Tech.
ChEMBL_54777 (CHEMBL884432)
IC50
6100±n/a nM
Citation
 Gangjee, A; Adair, OO; Queener, 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 Chem 46:5074-82 (2003) [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:
BDBM50135142
Synonyms:
6-[(2,5-Dimethoxy-phenylamino)-methyl]-pyrido[2,3-d]pyrimidine-2,4-diamine | CHEMBL424135
Type:
Small organic molecule
Emp. Form.:
C16H18N6O2
Mol. Mass.:
326.3531
SMILES:
COc1ccc(OC)c(NCc2cnc3nc(N)nc(N)c3c2)c1
Structure:
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