Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50056235
Substrate
n/a
Meas. Tech.
ChEMBL_52861 (CHEMBL884363)
IC50
9±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:
BDBM50056235
Synonyms:
6-{[Methyl-(3,4,5-trimethoxy-phenyl)-amino]-methyl}-pyrido[2,3-d]pyrimidine-2,4-diamine | CHEMBL142741
Type:
Small organic molecule
Emp. Form.:
C18H22N6O3
Mol. Mass.:
370.4057
SMILES:
COc1cc(cc(OC)c1OC)N(C)Cc1cnc2nc(N)nc(N)c2c1
Structure:
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