Reaction Details Report a problem with these data
Target
Adenosine kinase
Ligand
BDBM50166242
Substrate
n/a
Meas. Tech.
ChEMBL_1925616 (CHEMBL4428688)
IC50
19±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:
BDBM50166242
Synonyms:
(2R,3R,4S,5R)-2-[6-(2,3-Dihydro-indol-1-yl)-8-phenylamino-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol | CHEMBL364496
Type:
Small organic molecule
Emp. Form.:
C24H24N6O4
Mol. Mass.:
460.4852
SMILES:
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(Nc2ccccc2)nc2c(ncnc12)N1CCc2ccccc12
Structure:
Search PDB for entries with ligand similarity: