Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50081908
Substrate
n/a
Meas. Tech.
ChEMBL_54725 (CHEMBL668338)
IC50
398±n/a nM
Citation
 Dunn, WJ; Hopfinger, AJ; Catana, C; Duraiswami, C Solution of the conformation and alignment tensors for the binding of trimethoprim and its analogs to dihydrofolate reductase: 3D-quantitative structure-activity relationship study using molecular shape analysis, 3-way partial least-squares regression, and 3-way factor analysis. J Med Chem 39:4825-32 (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:
BDBM50081908
Synonyms:
5-(3-Methoxy-benzyl)-pyrimidine-2,4-diamine | CHEMBL18967
Type:
Small organic molecule
Emp. Form.:
C12H14N4O
Mol. Mass.:
230.2658
SMILES:
COc1cccc(Cc2cnc(N)nc2N)c1
Structure:
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