Target
Adenosine kinase
Ligand
BDBM50117171
Substrate
n/a
Meas. Tech.
ChEMBL_31124 (CHEMBL643552)
IC50
4±n/a nM
Citation
 Gomtsyan, ADidomenico, SLee, CHMatulenko, MAKim, KKowaluk, EAWismer, CTMikusa, JYu, HKohlhaas, KJarvis, MFBhagwat, SS Design, synthesis, and structure-activity relationship of 6-alkynylpyrimidines as potent adenosine kinase inhibitors. J Med Chem 45:3639-48 (2002) [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:
BDBM50117171
Synonyms:
6-(6-Morpholin-4-yl-pyridin-3-ylethynyl)-5-(3-pyridin-3-yl-propyl)-pyrimidin-4-ylamine | CHEMBL434792
Type:
Small organic molecule
Emp. Form.:
C23H24N6O
Mol. Mass.:
400.4763
SMILES:
Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1CCCc1cccnc1
Structure:
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