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TargetThymidylate synthase
LigandBDBM50021752
Substrate/Competitorn/a
Meas. Tech.ChEMBL_209297 (CHEMBL811753)
Ki 3600±n/a nM
Citation Al-Razzak, LASchwepler, DDecedue, CJBalzarini, JDe Clercq, EMertes, MP 5-Quinone derivatives of 2'-deoxyuridine 5'-phosphate: inhibition and inactivation of thymidylate synthase, antitumor cell, and antiviral studies. J Med Chem30:409-19 (1987) [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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50021752
n/a
NameBDBM50021752
Synonyms:CHEMBL3143105 | Phosphoric acid mono-{5-[5-(2,5-dimethoxy-3,4-dimethyl-phenyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl]-3-hydroxy-tetrahydro-furan-2-ylmethyl} ester
TypeSmall organic molecule
Emp. Form.C19H25N2O10P
Mol. Mass.472.383
SMILESCOc1cc(c(OC)c(C)c1C)-c1cn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O |r|
Structure
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