Reaction Details Report a problem with these data
Target
Adenosine kinase
Ligand
BDBM50533474
Substrate
n/a
Meas. Tech.
ChEMBL_1925616 (CHEMBL4428688)
IC50
0.060000±n/a nM
Citation
 Toti, KS; Osborne, D; Ciancetta, A; Boison, D; Jacobson, KA South (S)- and North (N)-Methanocarba-7-Deazaadenosine Analogues as Inhibitors of Human Adenosine Kinase. J Med Chem 59:6860-77 (2016) [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:
BDBM50533474
Synonyms:
CHEMBL4460859
Type:
Small organic molecule
Emp. Form.:
C10H13IN6O2
Mol. Mass.:
376.1537
SMILES:
N[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1nc(I)c2c(N)ncnc12 |r|
Structure:
Search PDB for entries with ligand similarity: