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TargetDihydrofolate reductase
LigandBDBM50335531
Substrate/Competitorn/a
Meas. Tech.ChEMBL_710363 (CHEMBL1653324)
IC50 46±n/a nM
Citation Bourne, CRBunce, RABourne, PCBerlin, KDBarrow, EWBarrow, 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 Chemother53:3065-73 (2009) [PubMed]  Article
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Dihydrofolate reductase
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:
MIVSFMVAMDENRVIGKDNNLPWRLPSELQYVKKTTMGHPLIMGRKNYEAIGRPLPGRRN
IIVTRNEGYHVEGCEVAHSVEEVFELCKNEEEIFIFGGAQIYDLFLPYVDKLYITKIHHA
FEGDTFFPEMDMTNWKEVFVEKGLTDEKNPYTYYYHVYEKQQ
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BDBM50335531
n/a
NameBDBM50335531
Synonyms:1-propyl-2-acryloyl-1,2-dihydrophthalazine | CHEMBL1652302
TypeSmall organic molecule
Emp. Form.C14H16N2O
Mol. Mass.228.2896
SMILESCCCC1N(N=Cc2ccccc12)C(=O)C=C |c:5|
Structure
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