Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50329613
Substrate
n/a
Meas. Tech.
ChEMBL_674962 (CHEMBL1272639)
Ki
5160±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:
Dihydrofolate Reductase (DHFR) | baDHFR
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:
BDBM50329613
Synonyms:
5-(3-(2,5-dimethoxybiphenyl-4-yl)but-1-ynyl)-6-methylpyrimidine-2,4-diamine | CHEMBL1270734
Type:
Small organic molecule
Emp. Form.:
C23H24N4O2
Mol. Mass.:
388.4623
SMILES:
COc1cc(c(OC)cc1C(C)C#Cc1c(C)nc(N)nc1N)-c1ccccc1
Structure:
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