Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM26518
Substrate
n/a
Meas. Tech.
ChEMBL_674962 (CHEMBL1272639)
Ki
360±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:
BDBM26518
Synonyms:
5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | Propargyl inhibitor, 16 | Propargyl-linked, 10
Type:
Small organic molecule
Emp. Form.:
C16H18N4O2
Mol. Mass.:
298.3397
SMILES:
COc1ccc(OC)c(CC#Cc2c(C)nc(N)nc2N)c1
Structure:
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