Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM26519
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
Temperature
298.15±0 K
IC50
1280±15 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:
DHFR | DYR_HUMAN | Dihydrofolate reductase (DHFR) | Tetrahydrofolate dehydrogenase
Type:
Enzyme
Mol. Mass.:
21453.99
Organism:
Homo sapiens (Human)
Description:
Recombinant human DHFR.
Residue:
187
Sequence:
MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND
  
Inhibitor
Name:
BDBM26519
Synonyms:
5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine | Propargyl inhibitor, 17 | Propargyl-linked, 11
Type:
Small organic molecule
Emp. Form.:
C17H20N4O2
Mol. Mass.:
312.3663
SMILES:
CCc1nc(N)nc(N)c1C#CCc1cc(OC)ccc1OC
Structure:
Search PDB for entries with ligand similarity: