Reaction Details Report a problem with these data
Target
Thymidine kinase
Ligand
BDBM50101058
Substrate
n/a
Meas. Tech.
ChEBML_210611
IC50
0.660000±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:
KITH_HHV1S | TK | Thymidine kinase | UL23
Type:
PROTEIN
Mol. Mass.:
40883.42
Organism:
Human herpesvirus 1 (strain SC16) (HHV-1) (Human herpes simplex virus1)
Description:
ChEMBL_213
Residue:
376
Sequence:
MASYPGHQHASAFDQAARSRGHSNRRTALRPRRQQEATEVRPEQKMPTLLRVYIDGPHGMGKTTTTQLLVALGSRDDIVYVPEPMTYWRVLGASETIANIYTTQHRLDQGEISAGDAAVVMTSAQITMGMPYAVTDAVLAPHIGGEAGSSHAPPPALTLIFDRHPIAALLCYPAARYLMGSMTPQAVLAFVALIPPTLPGTNIVLGALPEDRHIDRLAKRQRPGERLDLAMLAAIRRVYGLLANTVRYLQGGGSWREDWGQLSGTAVPPQGAEPQSNAGPRPHIGDTLFTLFRAPELLAPNGDLYNVFAWALDVLAKRLRPMHVFILDYDQSPAGCRDALLQLTSGMIQTHVTTPGSIPTICDLARTFAREMGEAN
Inhibitor
Name:
BDBM50101058
Synonyms:
4-Phenyl-9H-xanthene-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 | CHEMBL44047
Type:
Small organic molecule
Emp. Form.:
C31H28FN3O6
Mol. Mass.:
557.5689
SMILES:
CCc1cn([C@@H]2O[C@H](CNC(=O)C3c4ccccc4Oc4c3cccc4-c3ccccc3)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O