Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM26518
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
Temperature
298.15±0 K
IC50
32±6 nM
Citation
 Liu, J; Bolstad, DB; Smith, AE; Priestley, ND; Wright, DL; Anderson, AC Structure-guided development of efficacious antifungal agents targeting Candida glabrata dihydrofolate reductase. Chem Biol 15:990-6 (2008) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase
Synonyms:
Dihydrofolate Reductase (DHFR)
Type:
Protein
Mol. Mass.:
25053.64
Organism:
Candida Glabrata
Description:
Q6FPH0
Residue:
217
Sequence:
MSKVPVVGIVAALLPEMGIGFQGNLPWRLAKEMKYFREVTTLTNDNSKQNVVIMGRKTWESIPQKFRPLPKRINVVVSRSFDGELRKVEDGIYHSNSLRNCLTALQSSLANENKIERIYIIGGGEIYRQSMDLADHWLITKIMPLPETTIPQMDTFLQKQELEQRFYDNSDKLVDFLPSSIQLEGRLTSQEWNGELVKGLPVQEKGYQFYFTLYTKK
  
Inhibitor
Name:
BDBM26518
Synonyms:
5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | Propargyl inhibitor, 16 | Propargyl-linked, 10
Type:
Small organic molecule
Emp. Form.:
C16H18N4O2
Mol. Mass.:
298.3397
SMILES:
COc1ccc(OC)c(CC#Cc2c(C)nc(N)nc2N)c1
Structure:
Search PDB for entries with ligand similarity: