Reaction Details Report a problem with these data
Target
Deoxynucleoside kinase
Ligand
BDBM50314839
Substrate
n/a
Meas. Tech.
ChEMBL_627484 (CHEMBL1111770)
IC50
1800±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:
Deoxynucleoside kinase
Synonyms:
DNK_DROME | Deoxyribonucleoside kinase | Dm-dNK | Multispecific deoxynucleoside kinase | dnk
Type:
PROTEIN
Mol. Mass.:
29092.93
Organism:
Drosophila melanogaster
Description:
ChEMBL_627484
Residue:
250
Sequence:
MAEAASCARKGTKYAEGTQPFTVLIEGNIGSGKTTYLNHFEKYKNDICLLTEPVEKWRNVNGVNLLELMYKDPKKWAMPFQSYVTLTMLQSHTAPTNKKLKIMERSIFSARYCFVENMRRNGSLEQGMYNTLEEWYKFIEESIHVQADLIIYLRTSPEVAYERIRQRARSEESCVPLKYLQELHELHEDWLIHQRRPQSCKVLVLDADLNLENIGTEYQRSESSIFDAISSNQQPSPVLVSPSKRQRVAR
  
Inhibitor
Name:
BDBM50314839
Synonyms:
3'-(4-Chlorophenyl-1,2,3-triazol-1-yl)-3'-deoxy-beta-D-thymidine | CHEMBL1089867
Type:
Small organic molecule
Emp. Form.:
C18H18ClN5O4
Mol. Mass.:
403.82
SMILES:
Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(nn2)-c2ccc(Cl)cc2)c(=O)[nH]c1=O |r|
Structure:
Search PDB for entries with ligand similarity: