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Target
Thymidine kinase
Ligand
BDBM50210810
Substrate
n/a
Meas. Tech.
ChEMBL_208028 (CHEMBL814155)
IC50
100±n/a nM
Citation
 Gambino, J; Focher, F; Hildebrand, C; Maga, G; Noonan, T; Spadari, S; Wright, 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:
n/a
Type:
PROTEIN
Mol. Mass.:
40396.73
Organism:
Human herpesvirus 2
Description:
ChEMBL_474155
Residue:
376
Sequence:
MASHAGQQHAPAFGQAARASGPTDGRAASRPSHRQGASGARGDPELPTLLRVYIDGPHGVGKTTTSAQLMEALGPRDNIVYVPEPMTYWQVLGASETLTNIYNTQHRLDRGEISAGEAAVVMTSAQITMSTPYAATDAVLAPHIGGEAVGPQAPPPALTLVFDRHPIASLLCYPAARYLMGSMTPQAVLAFVALMPPTAPGTNLVLGVLPEAEHADRLARRQRPGERLDLAMLSAIRRVYDLLANTVRYLQRGGRWREDWGRLTGVAAATPRPDPEDGAGSLPRIEDTLFALFRVPELLAPNGDLYHIFAWVLDVLADRLLPMHLFVLDYDQSPVGCRDALLRLTAGMIPTRVTTAGSIAEIRDLARTFAREVGGV
  
Inhibitor
Name:
BDBM50210810
Synonyms:
2-(3-Trifluoromethyl-phenylamino)-1,9-dihydro-purin-6-one | CHEMBL405761 | N2-(3-trifluoromethylphenyl)guanine
Type:
Small organic molecule
Emp. Form.:
C12H8F3N5O
Mol. Mass.:
295.22
SMILES:
FC(F)(F)c1cccc(Nc2nc3nc[nH]c3c(=O)[nH]2)c1
Structure:
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