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Target
Thymidine kinase
Ligand
BDBM50101059
Substrate
n/a
Meas. Tech.
ChEBML_210614
IC50
5.2±n/a nM
Citation
 Martin, JA; Lambert, RW; Merrett, JH; Parkes, KE; Thomas, GJ; Baker, SJ; Bushnell, DJ; Cansfield, JE; Dunsdon, SJ; Freeman, AC; Hopkins, RA; Johns, IR; Keech, E; Simmonite, H; Walmsley, A; Wong Kai-In, P; Holland, M Nucleoside analogues as highly potent and selective inhibitors of herpes simplex virus thymidine kinase. Bioorg Med Chem Lett 11:1655-8 (2001) [PubMed]  Article 
Target
Name:
Thymidine kinase
Synonyms:
n/a
Type:
PROTEIN
Mol. Mass.:
40396.73
Organism:
Human herpesvirus 2
Description:
ChEMBL_474155
Residue:
376
Sequence:
MASHAGQQHAPAFGQAARASGPTDGRAASRPSHRQGASGARGDPELPTLLRVYIDGPHGVGKTTTSAQLMEALGPRDNIVYVPEPMTYWQVLGASETLTNIYNTQHRLDRGEISAGEAAVVMTSAQITMSTPYAATDAVLAPHIGGEAVGPQAPPPALTLVFDRHPIASLLCYPAARYLMGSMTPQAVLAFVALMPPTAPGTNLVLGVLPEAEHADRLARRQRPGERLDLAMLSAIRRVYDLLANTVRYLQRGGRWREDWGRLTGVAAATPRPDPEDGAGSLPRIEDTLFALFRVPELLAPNGDLYHIFAWVLDVLADRLLPMHLFVLDYDQSPVGCRDALLRLTAGMIPTRVTTAGSIAEIRDLARTFAREVGGV
  
Inhibitor
Name:
BDBM50101059
Synonyms:
9H-Fluorene-9-carboxylic acid [(2R,3S,5R)-5-(5-ethyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl]-amide | CHEMBL176768
Type:
Small organic molecule
Emp. Form.:
C25H25N3O5
Mol. Mass.:
447.4831
SMILES:
CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)C3c4ccccc4-c4ccccc34)O2)c(=O)[nH]c1=O
Structure:
Search PDB for entries with ligand similarity: