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Target
Thymidylate synthase
Ligand
BDBM50023640
Substrate
n/a
Meas. Tech.
ChEBML_209138
Ki
1210±n/a nM
Citation
 Chang, G; Schwepler, D; Decedue, CJ; Balzarini, J; De Clercq, E; Mertes, MP Linear free energy relationship studies of enzyme active site binding: thymidylate synthase. J Med Chem 31:1141-7 (1988) [PubMed]  Article 
Target
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:
MLEQPYLDLAKKVLDEGHFKPDRTHTGTYSIFGHQMRFDLSKGFPLLTTKKVPFGLIKSELLWFLHGDTNIRFLLQHRNHIWDEWAFEKWVKSDEYHGPDMTDFGHRSQKDPEFAAVYHEEMAKFDDRVLHDDAFAAKYGDLGLVYGSQWRAWHTSKGDTIDQLGDVIEQIKTHPYSRRLIVSAWNPEDVPTMALPPCHTLYQFYVNDGKLSLQLYQRSADIFLGVPFNIASYALLTHLVAHECGLEVGEFIHTFGDAHLYVNHLDQIKEQLSRTPRPAPTLQLNPDKHDIFDFDMKDIKLLNYDPYPAIKAPVAV
  
Inhibitor
Name:
BDBM50023640
Synonyms:
CHEMBL3144188 | Phosphoric acid mono-{3-hydroxy-5-[5-(4-methoxy-phenyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl]-tetrahydro-furan-2-ylmethyl} ester
Type:
Small organic molecule
Emp. Form.:
C16H19N2O9P
Mol. Mass.:
414.3038
SMILES:
COc1ccc(cc1)-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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