Target
Adenosine kinase
Ligand
BDBM14486
Substrate
n/a
Meas. Tech.
ChEBML_31126
IC50
1.6±n/a nM
Citation
 Lee, CHDaanen, JFJiang, MYu, HKohlhaas, KLAlexander, KJarvis, MFKowaluk, ELBhagwat, 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:
BDBM14486
Synonyms:
(2R,3R,4S,5R)-2-(2-amino-9-iodo-3,5,7-triazabicyclo[4.3.0]nona-1,3,5,8-tetraen-7-yl)-5-methyl-oxolane-3,4-diol | (2R,3R,4S,5R)-2-{4-amino-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-5-methyloxolane-3,4-diol | 5-IT | 5-Iodo-5-deoxytubercidin | 7-(5-deoxy-beta-D-ribofuranosyl)-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-4-amine | CHEMBL66280
Type:
Small organic molecule
Emp. Form.:
C11H13IN4O3
Mol. Mass.:
376.1504
SMILES:
C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12 |r|
Structure:
Search PDB for entries with ligand similarity: