Reaction Details  Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50051913
Substrate
n/a
Meas. Tech.
ChEMBL_54740 (CHEMBL667191)
IC50
140±n/a nM
Citation
 Gangjee, A; Vasudevan, A; Queener, SF; Kisliuk, RL 2,4-diamino-5-deaza-6-substituted pyrido[2,3-d]pyrimidine antifolates as potent and selective nonclassical inhibitors of dihydrofolate reductases. J Med Chem 39:1438-46 (1996) [PubMed]  Article
Target
Name:
Dihydrofolate reductase
Synonyms:
Dihydrofolate reductase (F31V) | dfrA17
Type:
n/a
Mol. Mass.:
17532.46
Organism:
Escherichia coli
Description:
n/a
Residue:
157
Sequence:
MKISLISAVSESGVIGSGPDIPWSVKGEQLLFKALTYNQWLLVGRKTFDSMGVLPNRKYAVVSKNGISSSNENVLVFPSIENALKELSKVTDHVYVSGGGQIYNSLIEKADIIHLSTVHVEVEGDIKFPIMPENFNLVFEQFFMSNINYTYQIWKKG
  
Inhibitor
Name:
BDBM50051913
Synonyms:
CHEMBL32113 | N*6*-(2,5-Dimethoxy-benzyl)-N*6*-methyl-pyrido[2,3-d]pyrimidine-2,4,6-triamine | N6-(2,5-DIMETHOXY-BENZYL)-N6-METHYL-PYRIDO[2,3-D]PYRIMIDINE-2,4,6-TRIAMINE | N6-(2,5-dimethoxybenzyl)-N6-methylpyrido[2,3-d]pyrimidine-2,4,6-triamine
Type:
Small organic molecule
Emp. Form.:
C17H20N6O2
Mol. Mass.:
340.3797
SMILES:
COc1ccc(OC)c(CN(C)c2cnc3nc(N)nc(N)c3c2)c1
Structure:
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