Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50027974
Substrate
n/a
Meas. Tech.
ChEMBL_54924 (CHEMBL666410)
Ki
5.3±n/a nM
Citation
 Birdsall, B; Feeney, J; Pascual, C; Roberts, GC; Kompis, I; Then, RL; Müller, K; Kroehn, A A 1H NMR study of the interactions and conformations of rationally designed brodimoprim analogues in complexes with Lactobacillus casei dihydrofolate reductase. J Med Chem 27:1672-6 (1985) [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:
BDBM50027974
Synonyms:
3-{3-[2-Bromo-5-(2,4-diamino-pyrimidin-5-ylmethyl)-3-methoxy-phenoxy]-propylamino}-propionic acid | CHEMBL46980
Type:
Small organic molecule
Emp. Form.:
C18H24BrN5O4
Mol. Mass.:
454.318
SMILES:
COc1cc(Cc2cnc(N)nc2N)cc(OCCCNCCC(O)=O)c1Br
Structure:
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