Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50405974
Substrate
n/a
Meas. Tech.
ChEBML_54926
Ki
457±n/a nM
Citation
 Selassie, CD; Fang, ZX; Li, RL; Hansch, C; Debnath, G; Klein, TE; Langridge, R; Kaufman, BT On the structure selectivity problem in drug design. A comparative study of benzylpyrimidine inhibition of vertebrate and bacterial dihydrofolate reductase via molecular graphics and quantitative structure-activity relationships. J Med Chem 32:1895-905 (1989) [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:
BDBM50405974
Synonyms:
CHEMBL56129
Type:
Small organic molecule
Emp. Form.:
C12H12N4O2
Mol. Mass.:
244.2493
SMILES:
Nc1ncc(Cc2ccc3OCOc3c2)c(N)n1
Structure:
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