Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50406002
Substrate
n/a
Meas. Tech.
ChEMBL_55072 (CHEMBL858271)
Ki
1000±n/a nM
Citation
 Hansch, C; Li, R; Blaney, JM; Langridge, R Comparison of the inhibition of Escherichia coli and Lactobacillus casei dihydrofolate reductase by 2,4-diamino-5-(substituted-benzyl)pyrimidines: quantitative structure-activity relationships, X-ray crystallography, and computer graphics in structure-activity analysis. J Med Chem 25:777-84 (1982) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase
Synonyms:
DYR_LACCA | dhfR | folA
Type:
PROTEIN
Mol. Mass.:
18437.08
Organism:
Lactobacillus casei
Description:
ChEMBL_1357878
Residue:
163
Sequence:
MTAFLWAQDRDGLIGKDGHLPWHLPDDLHYFRAQTVGKIMVVGRRTYESFPKRPLPERTNVVLTHQEDYQAQGAVVVHDVAAVFAYAKQHPDQELVIAGGAQIFTAFKDDVDTLLVTRLAGSFEGDTKMIPLNWDDFTKVSSRTVEDTNPALTHTYEVWQKKA
  
Inhibitor
Name:
BDBM50406002
Synonyms:
CHEMBL18912
Type:
Small organic molecule
Emp. Form.:
C13H14N6O3
Mol. Mass.:
302.2887
SMILES:
CC(=O)Nc1ccc(Cc2cnc(N)nc2N)cc1[N+]([O-])=O
Structure:
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