Reaction Details Report a problem with these data
Target
Adenosine kinase
Ligand
BDBM50174598
Substrate
n/a
Meas. Tech.
ChEMBL_321616 (CHEMBL872316)
IC50
4±n/a nM
Citation
 Boyer, SH; Ugarkar, BG; Solbach, J; Kopcho, J; Matelich, MC; Ollis, K; Gomez-Galeno, JE; Mendonca, R; Tsuchiya, M; Nagahisa, A; Nakane, M; Wiesner, JB; Erion, MD Adenosine kinase inhibitors. 5. Synthesis, enzyme inhibition, and analgesic activity of diaryl-erythro-furanosyltubercidin analogues. J Med Chem 48:6430-41 (2005) [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:
BDBM50174598
Synonyms:
(1R,2R,3R)-2-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-ylamino)-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl]-tetrahydro-furan-3,4-diol | CHEMBL364049
Type:
Small organic molecule
Emp. Form.:
C24H22N4O5
Mol. Mass.:
446.4553
SMILES:
O[C@@H]1CO[C@H]([C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccc4OCCOc4c3)ncnc12
Structure:
Search PDB for entries with ligand similarity: