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TargetDihydrofolate Reductase (DHFR)
LigandBDBM18050
Substrate/CompetitorBDBM18044
Meas. Tech.Determination of IC50 Values
pH7±n/a
Temperature303.15±n/a K
IC50 3±0.1 nM
Citation Summerfield RLDaigle DMMayer SMallik DHughes DWJackson SGSulek MOrgan MGBrown EDJunop MS A 2.13 A structure of E. coli dihydrofolate reductase bound to a novel competitive inhibitor reveals a new binding surface involving the M20 loop region. J Med Chem 49:6977-86 (2006) [PubMed]  Article
More Info.:Get all data from this article,  Inhibition_Run data,   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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