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Target
Adenosine kinase
Ligand
BDBM50135888
Substrate
n/a
Meas. Tech.
ChEMBL_31127 (CHEMBL643555)
IC50
0.98±n/a nM
Citation
 Perner, RJ; Gu, YG; Lee, CH; Bayburt, EK; McKie, J; Alexander, KM; Kohlhaas, KL; Wismer, CT; Mikusa, J; Jarvis, MF; Kowaluk, EA; Bhagwat, SS 5,6,7-trisubstituted 4-aminopyrido[2,3-d]pyrimidines as novel inhibitors of adenosine kinase. J Med Chem 46:5249-57 (2003) [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:
BDBM50135888
Synonyms:
5-(4-Bromo-thiophen-2-yl)-6-(3,4-dimethoxy-phenyl)-7-{4-[(2-methoxy-ethyl)-methyl-amino]-phenyl}-pyrido[2,3-d]pyrimidin-4-ylamine | CHEMBL356896
Type:
Small organic molecule
Emp. Form.:
C29H28BrN5O3S
Mol. Mass.:
606.533
SMILES:
COCCN(C)c1ccc(cc1)-c1nc2ncnc(N)c2c(-c2cc(Br)cs2)c1-c1ccc(OC)c(OC)c1
Structure:
Search PDB for entries with ligand similarity: