Reaction Details Report a problem with these data
Target
Thymidine kinase
Ligand
BDBM50481117
Substrate
n/a
Meas. Tech.
ChEMBL_596513 (CHEMBL1039001)
IC50
13000±n/a nM
Citation
 McGuigan, C; Derudas, M; Quintiliani, M; Andrei, G; Snoeck, R; Henson, G; Balzarini, J 2'-Fluorosugar analogues of the highly potent anti-varicella-zoster virus bicyclic nucleoside analogue (BCNA) Cf 1743. Bioorg Med Chem Lett 19:6264-7 (2009) [PubMed]  Article 
Target
Name:
Thymidine kinase
Synonyms:
2.7.1.21 | HHV3M2gp38 | HHV3_gp38 | HHV3gp38 | ORF36 | TK | Thymidine kinase
Type:
PROTEIN
Mol. Mass.:
37846.07
Organism:
Human herpesvirus 3
Description:
ChEMBL_14068
Residue:
341
Sequence:
MSTDKTDVKMGVLRIYLDGAYGIGKTTAAEEFLHHFAITPNRILLIGEPLSYWRNLAGEDAICGIYGTQTRRLNGDVSPEDAQRLTAHFQSLFCSPHAIMHAKISALMDTSTSDLVQVNKEPYKIMLSDRHPIASTICFPLSRYLVGDMSPAALPGLLFTLPAEPPGTNLVVCTVSLPSHLSRVSKRARPGETVNLPFVMVLRNVYIMLINTIIFLKTNNWHAGWNTLSFCNDVFKQKLQKSECIKLREVPGIEDTLFAVLKLPELCGEFGNILPLWAWGMETLSNCLRSMSPFVLSLEQTPQHAAQELKTLLPQMTPANMSSGAWNILKELVNAVQDNTS
  
Inhibitor
Name:
BDBM50481117
Synonyms:
CHEMBL585089
Type:
Small organic molecule
Emp. Form.:
C22H24F2N2O5
Mol. Mass.:
434.4332
SMILES:
CCCCCc1ccc(cc1)-c1cc2cn([C@@H]3O[C@H](CO)[C@@H](O)C3(F)F)c(=O)nc2o1 |r|
Structure:
Search PDB for entries with ligand similarity: