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TargetThymidylate Synthase (TS)
LigandBDBM50088157
Substrate/Competitorn/a
Meas. Tech.ChEMBL_209994
Ki 14000±n/a nM
Citation Bavetsias, VMarriott, JHMelin, CKimbell, RMatusiak, ZSBoyle, FTJackman, AL Design and synthesis of Cyclopenta[g]quinazoline-based antifolates as inhibitors of thymidylate synthase and potential antitumor agents(,). J Med Chem43:1910-26 (2000) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Thymidylate Synthase (TS)
Name:Thymidylate synthase
Synonyms:TSase | Thymidylate synthase
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:
BDBM50088157
NameBDBM50088157
Synonyms:2-{4-[(2-Methyl-4-oxo-4,6,7,8-tetrahydro-3H-cyclopenta[g]quinazolin-6-yl)-prop-2-ynyl-amino]-benzoylamino}-4-[1-(1H-tetrazol-5-yl)-ethylcarbamoyl]-butyric acid | CHEMBL59261
TypeSmall organic molecule
Emp. Form.C30H31N9O5
Mol. Mass.597.6244
SMILESC[C@@H](NC(=O)CC[C@H](NC(=O)c1ccc(cc1)N(CC#C)C1CCc2cc3nc(C)[nH]c(=O)c3cc12)C(O)=O)c1nnn[nH]1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a