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TargetDihydrofolate Reductase (DHFR)
LigandBDBM18050
Substrate/CompetitorBDBM18044
Meas. Tech.Thymidylate Synthase (TS) Assay
IC50 8.8±n/a nM
Citation Gangjee ALi WYang JKisliuk RL Design, synthesis, and biological evaluation of classical and nonclassical 2-amino-4-oxo-5-substituted-6-methylpyrrolo[3,2-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors. J Med Chem 51:68-76 (2008) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Dihydrofolate Reductase (DHFR)
Name:Bacterial dihydrofolate reductase
Synonyms:Bacterial dihydrofolate reductase | Tetrahydrofolate dehydrogenase
Type:Enzyme
Mol. Mass.:17991.61
Organism:Escherichia coli
Description:E. coli DHFR was expressed in BL21, and purified to homogeneity.
Residue:159
Sequence:
MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNI
ILSSQPGTDDRVTWVKSVDEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVE
GDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILERR
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BDBM18050
BDBM18044
NameBDBM18050
Synonyms:2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]pentanedioic acid | CHEMBL34259 | METHOTREXATE | MTX | Methotrexate | cid_126941
TypeSmall organic molecule
Emp. Form.C20H22N8O5
Mol. Mass.454.4393
SMILESCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Structure
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