Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50291779
Substrate
n/a
Meas. Tech.
ChEMBL_1525190 (CHEMBL3635311)
Kd
8740±n/a nM
Citation
 Srinivasan, B; Tonddast-Navaei, S; Skolnick, J Ligand binding studies, preliminary structure-activity relationship and detailed mechanistic characterization of 1-phenyl-6,6-dimethyl-1,3,5-triazine-2,4-diamine derivatives as inhibitors of Escherichia coli dihydrofolate reductase. Eur J Med Chem 103:600-14 (2015) [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:
BDBM50291779
Synonyms:
3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl)-benzonitrile | CHEMBL268914
Type:
Small organic molecule
Emp. Form.:
C12H14N6
Mol. Mass.:
242.2798
SMILES:
CC1(C)N=C(N)N=C(N)N1c1cccc(c1)C#N |t:3,6|
Structure:
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