Reaction Details |
| Report a problem with these data |
Target | Dihydrofolate reductase |
---|
Ligand | BDBM18796 |
---|
Substrate/Competitor | BDBM18044 |
---|
Meas. Tech. | Thymidylate Synthase (TS) Assay |
---|
IC50 | 230000±n/a nM |
---|
Citation | Gangjee, A; Li, W; Kisliuk, RL; Cody, V; Pace, J; Piraino, J; Makin, J Design, synthesis, and X-ray crystal structure of classical and nonclassical 2-amino-4-oxo-5-substituted-6-ethylthieno[2,3-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors and as potential antitumor agents. J Med Chem52:4892-902 (2009) [PubMed] Article |
---|
More Info.: | Get all data from this article, Solution Info, Assay Method |
---|
|
Dihydrofolate reductase |
---|
Name: | Dihydrofolate reductase |
Synonyms: | Bacterial dihydrofolate reductase | DYR_ECOLI | Dihydrofolate Reductase (DHFR) | Tetrahydrofolate dehydrogenase | folA | tmrA |
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
|
|
|
BDBM18796 |
---|
BDBM18044 |
---|
Name | BDBM18796 |
Synonyms: | (2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethyl)phenyl]formamido}pentanedioic acid | LY231514 | Pemetrexed |
Type | Small organic molecule |
Emp. Form. | C20H21N5O6 |
Mol. Mass. | 427.4106 |
SMILES | Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r| |
Structure |
|