Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM18491
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
Temperature
298.15±0 K
IC50
36±1 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
More Info.:
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:
BDBM18491
Synonyms:
5-[3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine | JMC517532 Compound 5 | Propargyl-linked, 2 | TMP derivative with propargyl-based linker, 20
Type:
Small organic molecule
Emp. Form.:
C17H20N4O3
Mol. Mass.:
328.3657
SMILES:
COc1cc(cc(OC)c1OC)C(C)C#Cc1cnc(N)nc1N