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Target
Adenosine kinase
Ligand
BDBM14494
Substrate
n/a
Meas. Tech.
ChEMBL_31124 (CHEMBL643552)
IC50
2.5±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:
BDBM14494
Synonyms:
6-{2-[6-(morpholin-4-yl)pyridin-3-yl]ethynyl}-5-(3-phenylpropyl)pyrimidin-4-amine | CHEMBL338508 | alkynylpyrimidine 8
Type:
Small organic molecule
Emp. Form.:
C24H25N5O
Mol. Mass.:
399.4882
SMILES:
Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1CCCc1ccccc1
Structure:
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