Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50298801
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
IC50
0.55±0.0 nM
Citation
 Liu, J; Bolstad, DB; Smith, AE; Priestley, ND; Wright, DL; Anderson, AC Probing the active site of Candida glabrata dihydrofolate reductase with high resolution crystal structures and the synthesis of new inhibitors. Chem Biol Drug Des 73:62-74 (2009) [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:
BDBM50298801
Synonyms:
(+/-)-5-(3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)but-1-ynyl)-6-methylpyrimidine-2,4-diamine | Biphenyl antifolate, 2 | CHEMBL575217 | US8853228, 140
Type:
Small organic molecule
Emp. Form.:
C24H26N4O
Mol. Mass.:
386.4894
SMILES:
COc1cc(cc(c1)-c1cc(C)cc(C)c1)C(C)C#Cc1c(C)nc(N)nc1N
Structure:
Search PDB for entries with ligand similarity: