| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Thymidylate synthase |
|---|
| Ligand | BDBM50022238 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_1358288 (CHEMBL3284705) |
|---|
| Ki | 14±n/a nM |
|---|
| Citation |  Wataya, Y; Santi, DV; Hansch, C Inhibition of Lactobacillus casei thymidylate synthetase by 5-substituted 2'-deoxyuridylates. Preliminary quantitative structure-activity relationship. J Med Chem20:1469-73 (1977) [PubMed] |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Thymidylate synthase |
|---|
| Name: | Thymidylate synthase |
|---|
| Synonyms: | TSase | TYSY_LACCA | Thymidylate Synthase (TS) | Thymidylate synthase | thyA |
|---|
| Type: | Enzyme |
|---|
| Mol. Mass.: | 36576.54 |
|---|
| Organism: | Lactobacillus casei |
|---|
| Description: | n/a |
|---|
| Residue: | 316 |
|---|
| Sequence: | MLEQPYLDLAKKVLDEGHFKPDRTHTGTYSIFGHQMRFDLSKGFPLLTTKKVPFGLIKSE
LLWFLHGDTNIRFLLQHRNHIWDEWAFEKWVKSDEYHGPDMTDFGHRSQKDPEFAAVYHE
EMAKFDDRVLHDDAFAAKYGDLGLVYGSQWRAWHTSKGDTIDQLGDVIEQIKTHPYSRRL
IVSAWNPEDVPTMALPPCHTLYQFYVNDGKLSLQLYQRSADIFLGVPFNIASYALLTHLV
AHECGLEVGEFIHTFGDAHLYVNHLDQIKEQLSRTPRPAPTLQLNPDKHDIFDFDMKDIK
LLNYDPYPAIKAPVAV
|
|
|
|---|
| BDBM50022238 |
|---|
| n/a |
|---|
| Name | BDBM50022238 |
|---|
| Synonyms: | (R)-5-Fluoro-1-((4S,5R)-4-hydroxy-5-methylphosphate-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE | 5-Fluoro-2-Deoxyuridine Monophosphate (Fdump) | CHEMBL886 | Phosphoric acid mono-[(2R,3S,5R)-5-(5-fluoro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl] ester | Phosphoric acid mono-[5-(5-fluoro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl] ester |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C9H12FN2O8P |
|---|
| Mol. Mass. | 326.1723 |
|---|
| SMILES | O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1cc(F)c(=O)[nH]c1=O |
|---|
| Structure | 
|
|---|
Search and Browse
