Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50422885
Substrate
n/a
Meas. Tech.
ChEMBL_54409 (CHEMBL667167)
pH
7±n/a
Kd
220±n/a nM
Comments
extracted
Citation
 Taira, K; Benkovic, SJ Evaluation of the importance of hydrophobic interactions in drug binding to dihydrofolate reductase. J Med Chem 31:129-37 (1988) [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:
BDBM50422885
Synonyms:
CHEMBL2364573 | NADPH
Type:
Small organic molecule
Emp. Form.:
C21H28N7O17P3
Mol. Mass.:
743.405
SMILES:
NC(=O)c1ccc[n+](c1)[C@H]1O[C@@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@H](O)[C@@H]1O |r|
Structure:
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