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Target
Thymidine kinase
Ligand
BDBM50206484
Substrate
n/a
Meas. Tech.
ChEMBL_454746 (CHEMBL886768)
IC50
>1000000±n/a nM
Citation
 Ciliberti, N; Manfredini, S; Angusti, A; Durini, E; Solaroli, N; Vertuani, S; Buzzoni, L; Bonache, MC; Ben-Shalom, E; Karlsson, A; Saada, A; Balzarini, J Novel selective human mitochondrial kinase inhibitors: design, synthesis and enzymatic activity. Bioorg Med Chem 15:3065-81 (2007) [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:
BDBM50206484
Synonyms:
(2R,3S,4R,5R)-2-(5-((E)-2-bromovinyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-3-yl decanoate | CHEMBL400618
Type:
Small organic molecule
Emp. Form.:
C21H31BrN2O7
Mol. Mass.:
503.384
SMILES:
CCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C=CBr)c(=O)[nH]c1=O |w:24.25|
Structure:
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