Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50138691
Substrate
n/a
Meas. Tech.
ChEMBL_54735 (CHEMBL667186)
Ki
19.1±n/a nM
Citation
 Doweyko, AM The hypothetical active site lattice. An approach to modelling active sites from data on inhibitor molecules. J Med Chem 31:1396-406 (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:
BDBM50138691
Synonyms:
5-(3,4-Dimethoxy-benzyl)-pyrimidine-2,4-diamine | CHEMBL19633 | Diaveridine
Type:
Small organic molecule
Emp. Form.:
C13H16N4O2
Mol. Mass.:
260.2917
SMILES:
COc1ccc(Cc2cnc(N)nc2N)cc1OC
Structure:
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