Reaction Details Report a problem with these data
Target
Thymidine kinase
Ligand
BDBM50101043
Substrate
n/a
Meas. Tech.
ChEBML_210614
IC50
0.700000±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]
More Info.:
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:
BDBM50101043
Synonyms:
9H-Thioxanthene-9-carboxylic acid [(2R,3R,4S,5R)-5-(5-ethyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-4-fluoro-3-hydroxy-tetrahydro-furan-2-ylmethyl]-amide | CHEMBL45424
Type:
Small organic molecule
Emp. Form.:
C25H24FN3O5S
Mol. Mass.:
497.539
SMILES:
CCc1cn([C@@H]2O[C@H](CNC(=O)C3c4ccccc4Sc4ccccc34)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O