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Target
Thymidine kinase
Ligand
BDBM50314841
Substrate
n/a
Meas. Tech.
ChEMBL_627479 (CHEMBL1111765)
IC50
46000±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:
BDBM50314841
Synonyms:
3'-(4-(2-Pyridine)-1,2,3-triazole-1-yl)-2'-deoxythymidine | 3'-Deoxy-3'-(4-pyridin-2-yl-1,2,3-triazol-1-yl)-beta-D-thymidine | CHEMBL1091719
Type:
Small organic molecule
Emp. Form.:
C17H18N6O4
Mol. Mass.:
370.3626
SMILES:
Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(nn2)-c2ccccn2)c(=O)[nH]c1=O |r|
Structure:
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