Reaction Details Report a problem with these data
Target
Adenosine kinase
Ligand
BDBM50174597
Substrate
n/a
Meas. Tech.
ChEMBL_321616 (CHEMBL872316)
IC50
5±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:
BDBM50174597
Synonyms:
(1R,2R,3R)-2-[4-(4-Bromo-phenylamino)-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl]-tetrahydro-furan-3,4-diol | CHEMBL381682
Type:
Small organic molecule
Emp. Form.:
C22H19BrN4O3
Mol. Mass.:
467.315
SMILES:
O[C@@H]1CO[C@H]([C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccc(Br)cc3)ncnc12
Structure:
Search PDB for entries with ligand similarity: