Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50329612
Substrate
n/a
Meas. Tech.
ChEMBL_674962 (CHEMBL1272639)
Ki
330±n/a nM
Citation
 Beierlein, JM; Karri, NG; Anderson, AC Targeted mutations of Bacillus anthracis dihydrofolate reductase condense complex structure-activity relationships. J Med Chem 53:7327-36 (2010) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase
Synonyms:
baDHFR | Dihydrofolate Reductase (DHFR)
Type:
Enzyme
Mol. Mass.:
19120.62
Organism:
Bacillus anthracis
Description:
baDHFR was expressed in E. coli BL21, and purified to homogeneity.
Residue:
162
Sequence:
MIVSFMVAMDENRVIGKDNNLPWRLPSELQYVKKTTMGHPLIMGRKNYEAIGRPLPGRRNIIVTRNEGYHVEGCEVAHSVEEVFELCKNEEEIFIFGGAQIYDLFLPYVDKLYITKIHHAFEGDTFFPEMDMTNWKEVFVEKGLTDEKNPYTYYYHVYEKQQ
  
Inhibitor
Name:
BDBM50329612
Synonyms:
6-ethyl-5-(3-(5-methoxybiphenyl-3-yl)prop-1-ynyl)pyrimidine-2,4-diamine | CHEMBL1270633
Type:
Small organic molecule
Emp. Form.:
C22H22N4O
Mol. Mass.:
n/a
SMILES:
CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3ccccc3
Structure:
Search PDB for entries with ligand similarity: