Reaction Details |
| Report a problem with these data |
Target | Thymidylate synthase |
---|
Ligand | BDBM36685 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | Enzyme Assay |
---|
pH | 7.4±0 |
---|
Temperature | 293.15±0 K |
---|
IC50 | 2.5e+4±n/a nM |
---|
Citation | Tondi, D; Slomczynska, U; Costi, MP; Watterson, DM; Ghelli, S; Shoichet, BK Structure-based discovery and in-parallel optimization of novel competitive inhibitors of thymidylate synthase. Chem Biol6:319-31 (1999) [PubMed] Article |
---|
More Info.: | Get all data from this article, Solution Info, 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
|
|
|
BDBM36685 |
---|
n/a |
---|
Name | BDBM36685 |
Synonyms: | Dansyltyrosine deriviative 2B |
Type | Small organic molecule |
Emp. Form. | C27H26N2O9S3 |
Mol. Mass. | 618.698 |
SMILES | COC(=O)c1sccc1S(=O)(=O)N[C@@H](Cc1ccc(OS(=O)(=O)c2cccc3c(cccc23)N(C)C)cc1)C(O)=O |r| |
Structure |
|