Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50298803
Substrate
n/a
Meas. Tech.
ChEMBL_674962 (CHEMBL1272639)
Ki
3370±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:
BDBM50298803
Synonyms:
(+/-)-6-methyl-5-(3-(3,4,5-trimethoxyphenyl)pent-1-ynyl)pyrimidine-2,4-diamine | CHEMBL574335 | Propargyl-substituted antifolate, 18
Type:
Small organic molecule
Emp. Form.:
C19H24N4O3
Mol. Mass.:
356.4189
SMILES:
CCC(C#Cc1c(C)nc(N)nc1N)c1cc(OC)c(OC)c(OC)c1
Structure:
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