Reaction Details Report a problem with these data
Target
Adenosine kinase
Ligand
BDBM50104173
Substrate
n/a
Meas. Tech.
ChEBML_31126
IC50
600±n/a nM
Citation
 Lee, CH; Daanen, JF; Jiang, M; Yu, H; Kohlhaas, KL; Alexander, K; Jarvis, MF; Kowaluk, EL; Bhagwat, SS Synthesis and biological evaluation of clitocine analogues as adenosine kinase inhibitors. Bioorg Med Chem Lett 11:2419-22 (2001) [PubMed]  Article 
Target
Name:
Adenosine kinase
Synonyms:
ADENOSINE | ADK_RAT | Adenosine 5-phosphotransferase | Adenosine Kinase (AK) | Adenosine kinase | Adk
Type:
Enzyme
Mol. Mass.:
40130.14
Organism:
Rattus norvegicus (rat)
Description:
Rat brain cytosol as enzyme source.
Residue:
361
Sequence:
MAAADEPKPKKLKVEAPEALSENVLFGMGNPLLDISAVVDKDFLDKYSLKPNDQILAEDKHKELFDELVKKFKVEYHAGGSTQNSMKVAQWMIQEPHRAATFFGCIGIDKFGEILKSKAADAHVDAHYYEQNEQPTGTCAACITGGNRSLVANLAAANCYKKEKHLDLENNWMLVEKARVYYIAGFFLTVSPESVLKVARYAAENNRTFTLNLSAPFISQFFKEALMEVMPYVDILFGNETEAATFAREQGFETKDIKEIARKTQALPKVNSKRQRTVIFTQGRDDTIVATGNDVTAFPVLDQNQEEIVDTNGAGDAFVGGFLSQLVSNKPLTECIRAGHYAASVIIRRTGCTFPEKPDFH
  
Inhibitor
Name:
BDBM50104173
Synonyms:
4-((2R,3R,4S,5R)-3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-ylamino)-pyrimidine-5-carboxylic acid methyl ester | CHEMBL80588
Type:
Small organic molecule
Emp. Form.:
C11H15N3O6
Mol. Mass.:
285.2533
SMILES:
COC(=O)c1cncnc1N[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Structure:
Search PDB for entries with ligand similarity: