Reaction Details Report a problem with these data
Target
Adenosine kinase
Ligand
BDBM50090898
Substrate
n/a
Meas. Tech.
ChEMBL_31116 (CHEMBL643544)
IC50
9.0±n/a nM
Citation
 Ugarkar, BG; Castellino, AJ; DaRe, JM; Kopcho, JJ; Wiesner, JB; Schanzer, JM; Erion, MD Adenosine kinase inhibitors. 2. Synthesis, enzyme inhibition, and antiseizure activity of diaryltubercidin analogues. J Med Chem 43:2894-905 (2000) [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:
BDBM50090898
Synonyms:
2-[5-Furan-2-yl-4-(4-methoxy-phenylamino)-pyrrolo[2,3-d]pyrimidin-7-yl]-5-methyl-tetrahydro-furan-3,4-diol | CHEMBL99025
Type:
Small organic molecule
Emp. Form.:
C22H22N4O5
Mol. Mass.:
422.4339
SMILES:
COc1ccc(Nc2ncnc3n(cc(-c4ccco4)c23)[C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1
Structure:
Search PDB for entries with ligand similarity: