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Target
Adenosine kinase
Ligand
BDBM50117165
Substrate
n/a
Meas. Tech.
ChEMBL_31124 (CHEMBL643552)
IC50
2±n/a nM
Citation
 Gomtsyan, A; Didomenico, S; Lee, CH; Matulenko, MA; Kim, K; Kowaluk, EA; Wismer, CT; Mikusa, J; Yu, H; Kohlhaas, K; Jarvis, MF; Bhagwat, 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:
BDBM50117165
Synonyms:
5-[(Benzyl-methyl-amino)-methyl]-6-(6-morpholin-4-yl-pyridin-3-ylethynyl)-pyrimidin-4-ylamine | CHEMBL121623
Type:
Small organic molecule
Emp. Form.:
C24H26N6O
Mol. Mass.:
414.5028
SMILES:
CN(Cc1ccccc1)Cc1c(N)ncnc1C#Cc1ccc(nc1)N1CCOCC1
Structure:
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