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Target
Thymidine kinase
Ligand
BDBM50314845
Substrate
n/a
Meas. Tech.
ChEMBL_627479 (CHEMBL1111765)
IC50
4500±n/a nM
Citation
 Van Poecke, S; Negri, A; Gago, F; Van Daele, I; Solaroli, N; Karlsson, A; Balzarini, J; Van Calenbergh, S 3'-[4-Aryl-(1,2,3-triazol-1-yl)]-3'-deoxythymidine analogues as potent and selective inhibitors of human mitochondrial thymidine kinase. J Med Chem 53:2902-12 (2010) [PubMed]  Article 
Target
Name:
Thymidine kinase
Synonyms:
KITH_HHV1 | TK | UL23
Type:
PROTEIN
Mol. Mass.:
40902.47
Organism:
Human herpesvirus 1 (strain SC16) (HHV-1) (Human herpes simplex virus1)
Description:
ChEMBL_474154
Residue:
376
Sequence:
MASYPCHQHASAFDQAARSRGHSNRRTALRPRRQQEATEVRLEQKMPTLLRVYIDGPHGMGKTTTTQLLVALGSRDDIVYVPEPMTYWQVLGASETIANIYTTQHRLDQGEISAGDAAVVMTSAQITMGMPYAVTDAVLAPHIGGEAGSSHAPPPALTLIFDRHPIAALLCYPAARYLMGSMTPQAVLAFVALIPPTLPGTNIVLGALPEDRHIDRLAKRQRPGERLDLAMLAAIRRVYGLLANTVRYLQGGGSWREDWGQLSGTAVPPQGAEPQSNAGPRPHIGDTLFTLFRAPELLAPNGDLYNVFAWALDVLAKRLRPMHVFILDYDQSPAGCRDALLQLTSGMVQTHVTTPGSIPTICDLARTFAREMGEAN
  
Inhibitor
Name:
BDBM50314845
Synonyms:
3'-(4-Chlorophenyl-1,2,3-triazol-1-yl)-3'-deoxy-beta-(E)-5-(2-bromovinyl)-2'-deoxyuridine | CHEMBL1091988
Type:
Small organic molecule
Emp. Form.:
C19H17BrClN5O4
Mol. Mass.:
494.726
SMILES:
OC[C@H]1O[C@H](C[C@@H]1n1cc(nn1)-c1ccc(Cl)cc1)n1cc(C=CBr)c(=O)[nH]c1=O |r,w:23.26|
Structure:
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