Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50498878
Substrate
n/a
Meas. Tech.
ChEMBL_1525191 (CHEMBL3635312)
Kd
10.0±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:
BDBM50498878
Synonyms:
CHEMBL97567
Type:
Small organic molecule
Emp. Form.:
C23H30FN5O2S
Mol. Mass.:
459.58
SMILES:
CC1(C)N=C(N)N=C(N)N1c1ccc(CCCCCCc2ccc(cc2)S(F)(=O)=O)cc1 |t:3,6|
Structure:
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