Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50138698
Substrate
n/a
Meas. Tech.
ChEBML_54926
Ki
4169±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:
BDBM50138698
Synonyms:
5-(4-Heptyloxy-benzyl)-pyrimidine-2,4-diamine | CHEMBL30937
Type:
Small organic molecule
Emp. Form.:
C18H26N4O
Mol. Mass.:
314.4252
SMILES:
CCCCCCCOc1ccc(Cc2cnc(N)nc2N)cc1
Structure:
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