| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Dihydrofolate reductase |
|---|
| Ligand | BDBM50008294 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_539765 (CHEMBL1034983) |
|---|
| IC50 | 23000±n/a nM |
|---|
| Citation |  Gangjee, A; Qiu, Y; Li, W; Kisliuk, RL Potent dual thymidylate synthase and dihydrofolate reductase inhibitors: classical and nonclassical 2-amino-4-oxo-5-arylthio-substituted-6-methylthieno[2,3-d]pyrimidine antifolates. J Med Chem51:5789-97 (2008) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Dihydrofolate reductase |
|---|
| Name: | Dihydrofolate reductase |
|---|
| Synonyms: | Dihydrofolate reductase (F31V) | dfrA17 |
|---|
| Type: | n/a |
|---|
| Mol. Mass.: | 17532.46 |
|---|
| Organism: | Escherichia coli |
|---|
| Description: | n/a |
|---|
| Residue: | 157 |
|---|
| Sequence: | MKISLISAVSESGVIGSGPDIPWSVKGEQLLFKALTYNQWLLVGRKTFDSMGVLPNRKYA
VVSKNGISSSNENVLVFPSIENALKELSKVTDHVYVSGGGQIYNSLIEKADIIHLSTVHV
EVEGDIKFPIMPENFNLVFEQFFMSNINYTYQIWKKG
|
|
|
|---|
| BDBM50008294 |
|---|
| n/a |
|---|
| Name | BDBM50008294 |
|---|
| Synonyms: | 2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl)(prop-2-ynyl)amino)benzamido)pentanedioic acid | 2-{4-[(2-Amino-4-hydroxy-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid | 2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid | 2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid (PDDF) | 2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid(N10-propargyl-5,8-dideazafolate, PDDF) | 2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid(PDDF) | CHEMBL422395 | PDDF |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C24H23N5O6 |
|---|
| Mol. Mass. | 477.4693 |
|---|
| SMILES | Nc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |
|---|
| Structure | 
|
|---|
Search and Browse
