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TargetThymidylate Synthase (TS)
LigandBDBM50088164
Substrate/Competitorn/a
Meas. Tech.ChEMBL_209994
Ki 6000±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:
BDBM50088164
NameBDBM50088164
Synonyms:(S)-2-{4-[(2-Methyl-4-oxo-4,6,7,8-tetrahydro-3H-cyclopenta[g]quinazolin-6-yl)-prop-2-ynyl-amino]-benzoylamino}-5-(1H-[1,2,4]triazole-3-sulfonyl)-pentanoic acid | 2-{4-[(2-Methyl-4-oxo-4,6,7,8-tetrahydro-3H-cyclopenta[g]quinazolin-6-yl)-prop-2-ynyl-amino]-benzoylamino}-5-(1H-[1,2,4]triazole-3-sulfonyl)-pentanoic acid | CHEMBL55437
TypeSmall organic molecule
Emp. Form.C29H29N7O6S
Mol. Mass.603.649
SMILESCc1nc2cc3CCC(N(CC#C)c4ccc(cc4)C(=O)N[C@@H](CCCS(=O)(=O)c4nnc[nH]4)C(O)=O)c3cc2c(=O)[nH]1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a