Target
Thymidine kinase
Ligand
BDBM50229851
Substrate
n/a
Meas. Tech.
ChEMBL_208025 (CHEMBL814153)
IC50
269153±n/a nM
Citation
 Gambino, JFocher, FHildebrand, CMaga, GNoonan, TSpadari, SWright, G Quantitative structure-activity relationships of N2-phenylguanines as inhibitors of herpes simplex virus thymidine kinases. J Med Chem 35:2979-83 (1992) [PubMed]  Article 
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:
BDBM50229851
Synonyms:
CHEMBL99634
Type:
Small organic molecule
Emp. Form.:
C13H13N5O2
Mol. Mass.:
271.2746
SMILES:
Cc1ccc(Nc2nc(O)c3[nH]cnc3n2)cc1CO
Structure:
Search PDB for entries with ligand similarity: