Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50335531
Substrate
n/a
Meas. Tech.
ChEMBL_710363 (CHEMBL1653324)
IC50
46±n/a nM
Citation
 Bourne, CR; Bunce, RA; Bourne, PC; Berlin, KD; Barrow, EW; Barrow, WW Crystal structure of Bacillus anthracis dihydrofolate reductase with the dihydrophthalazine-based trimethoprim derivative RAB1 provides a structural explanation of potency and selectivity. Antimicrob Agents Chemother 53:3065-73 (2009) [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:
BDBM50335531
Synonyms:
1-propyl-2-acryloyl-1,2-dihydrophthalazine | CHEMBL1652302
Type:
Small organic molecule
Emp. Form.:
C14H16N2O
Mol. Mass.:
228.2896
SMILES:
CCCC1N(N=Cc2ccccc12)C(=O)C=C |c:5|
Structure:
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