Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50081908
Substrate
n/a
Meas. Tech.
ChEMBL_55072 (CHEMBL858271)
Ki
1175±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:
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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