Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetThymidylate synthase
LigandBDBM36707
Substrate/Competitorn/a
Meas. Tech.Enzyme Assay
pH7.4±0
Temperature293.15±0 K
IC50>5.0e+4±n/a nM
Citation Tondi, DSlomczynska, UCosti, MPWatterson, DMGhelli, SShoichet, 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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM36707
n/a
NameBDBM36707
Synonyms:Dansyltyrosine deriviative 26B
TypeSmall organic molecule
Emp. Form.C33H26Cl3N3O10S2
Mol. Mass.795.063
SMILESCN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cc(Cl)c(Oc3ccc(cc3Cl)N(=O)=O)c(Cl)c2)C(O)=O)cc1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: