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Target
Adenosine kinase
Ligand
BDBM50201842
Substrate
n/a
Meas. Tech.
ChEMBL_435462 (CHEMBL903820)
IC50
>1000±n/a nM
Citation
 Matulenko, MA; Paight, ES; Frey, RR; Gomtsyan, A; DiDomenico, S; Jiang, M; Lee, CH; Stewart, AO; Yu, H; Kohlhaas, KL; Alexander, KM; McGaraughty, S; Mikusa, J; Marsh, KC; Muchmore, SW; Jakob, CL; Kowaluk, EA; Jarvis, MF; Bhagwat, SS 4-amino-5-aryl-6-arylethynylpyrimidines: structure-activity relationships of non-nucleoside adenosine kinase inhibitors. Bioorg Med Chem 15:1586-605 (2007) [PubMed]  Article 
Target
Name:
Adenosine kinase
Synonyms:
ADK | ADK_HUMAN
Type:
PROTEIN
Mol. Mass.:
40545.97
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1467841
Residue:
362
Sequence:
MAAAEEEPKPKKLKVEAPQALRENILFGMGNPLLDISAVVDKDFLDKYSLKPNDQILAEDKHKELFDELVKKFKVEYHAGGSTQNSIKVAQWMIQQPHKAATFFGCIGIDKFGEILKRKAAEAHVDAHYYEQNEQPTGTCAACITGDNRSLIANLAAANCYKKEKHLDLEKNWMLVEKARVCYIAGFFLTVSPESVLKVAHHASENNRIFTLNLSAPFISQFYKESLMKVMPYVDILFGNETEAATFAREQGFETKDIKEIAKKTQALPKMNSKRQRIVIFTQGRDDTIMATESEVTAFAVLDQDQKEIIDTNGAGDAFVGGFLSQLVSDKPLTECIRAGHYAASIIIRRTGCTFPEKPDFH
  
Inhibitor
Name:
BDBM50201842
Synonyms:
CHEMBL387629 | [5-(4-chlorophenyl)-6-(4-dimethylaminophenylethynyl)pyrimidin-4-yl]-[2-(1H-imidazol-4-yl)ethyl]amine
Type:
Small organic molecule
Emp. Form.:
C25H23ClN6
Mol. Mass.:
442.943
SMILES:
CN(C)c1ccc(cc1)C#Cc1ncnc(NCCc2cnc[nH]2)c1-c1ccc(Cl)cc1
Structure:
Search PDB for entries with ligand similarity: