Reaction Details Report a problem with these data
Target
Thymidine kinase
Ligand
BDBM50205239
Substrate
n/a
Meas. Tech.
ChEMBL_455486 (CHEMBL886265)
IC50
2600±n/a nM
Citation
 Chitneni, SK; Deroose, CM; Fonge, H; Gijsbers, R; Dyubankova, N; Balzarini, J; Debyser, Z; Mortelmans, L; Verbruggen, AM; Bormans, GM Synthesis and biological evaluation of an 123I-labeled bicyclic nucleoside analogue (BCNA) as potential SPECT tracer for VZV-tk reporter gene imaging. Bioorg Med Chem Lett 17:3458-62 (2007) [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:
BDBM50205239
Synonyms:
3-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-6-(3-hydroxyphenyl)furo[2,3-d]pyrimidin-2(3H)-one | 3-(2'-deoxy-beta-D-ribofuranosyl)-6-(3-hydroxyphenyl)-2,3-dihydrofuro[2,3-d]pyrimidin-2-one | CHEMBL375147
Type:
Small organic molecule
Emp. Form.:
C17H16N2O6
Mol. Mass.:
344.3187
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1cc2cc(oc2nc1=O)-c1cccc(O)c1
Structure:
Search PDB for entries with ligand similarity: