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Target
Thymidine kinase
Ligand
BDBM50100411
Substrate
n/a
Meas. Tech.
ChEBML_208206
IC50
845000±n/a nM
Citation
 Manfredini, S; Baraldi, PG; Durini, E; Porcu, L; Angusti, A; Vertuani, S; Solaroli, N; De Clercq, E; Karlsson, A; Balzarini, J Design, synthesis and enzymatic activity of highly selective human mitochondrial thymidine kinase inhibitors. Bioorg Med Chem Lett 11:1329-32 (2001) [PubMed]  Article 
Target
Name:
Thymidine kinase
Synonyms:
KITH_VZVD | TK
Type:
PROTEIN
Mol. Mass.:
37819.99
Organism:
Varicella-zoster virus (strain Dumas) (HHV-3) (Human herpesvirus 3)
Description:
ChEMBL_444706
Residue:
341
Sequence:
MSTDKTDVKMGVLRIYLDGAYGIGKTTAAEEFLHHFAITPNRILLIGEPLSYWRNLAGEDAICGIYGTQTRRLNGDVSPEDAQRLTAHFQSLFCSPHAIMHAKISALMDTSTSDLVQVNKEPYKIMLSDRHPIASTICFPLSRYLVGDMSPAALPGLLFTLPAEPPGTNLVVCTVSLPSHLSRVSKRARPGETVNLPFVMVLRNVYIMLINTIIFLKTNNWHAGWNTLSFCNDVFKQKLQKSECIKLREVPGIEDTLFAVLKLPELCGEFGNILPLWAWGMETLSNCSRSMSPFVLSLEQTPQHAAQELKTLLPQMTPANMSSGAWNILKELVNAVQDNTS
  
Inhibitor
Name:
BDBM50100411
Synonyms:
CHEMBL400618 | Decanoic acid 2-[5-((E)-2-bromo-vinyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl]-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-3-yl ester
Type:
Small organic molecule
Emp. Form.:
C21H31BrN2O7
Mol. Mass.:
503.384
SMILES:
CCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(\C=C\Br)c(=O)[nH]c1=O
Structure:
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