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TargetDihydrofolate reductase
LigandBDBM50335533
Substrate/Competitorn/a
Meas. Tech.ChEMBL_710363 (CHEMBL1653324)
IC50 170±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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BDBM50335533
n/a
NameBDBM50335533
Synonyms:(E)-1-(1-butylphthalazin-2(1H)-yl)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)prop-2-en-1-one | CHEMBL1652304
TypeSmall organic molecule
Emp. Form.C28H32N6O3
Mol. Mass.500.5921
SMILESCCCC[C@@H]1N(N=Cc2ccccc12)C(=O)\C=C\c1cc(Cc2cnc(N)nc2N)cc(OC)c1OC |r,c:6|
Structure
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