Reaction Details Report a problem with these data
Target
Thymidine kinase
Ligand
BDBM50100410
Substrate
n/a
Meas. Tech.
ChEBML_208206
IC50
>1000000±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:
BDBM50100410
Synonyms:
BDBM50206503 | CHEMBL392346 | Pentanoic acid 4-hydroxy-5-hydroxymethyl-2-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yl ester
Type:
Small organic molecule
Emp. Form.:
C15H22N2O7
Mol. Mass.:
342.3444
SMILES:
CCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C)c(=O)[nH]c1=O
Structure:
Search PDB for entries with ligand similarity: