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Target
Adenosine kinase
Ligand
BDBM50090887
Substrate
n/a
Meas. Tech.
ChEMBL_1925616 (CHEMBL4428688)
IC50
0.500000±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:
BDBM50090887
Synonyms:
(1R,4S,5R)-2-Methyl-5-(5-phenyl-4-phenylamino-pyrrolo[2,3-d]pyrimidin-7-yl)-tetrahydro-furan-3,4-diol | (2R,3S,4R,5R)-2-Methyl-5-(5-phenyl-4-phenylamino-pyrrolo[2,3-d]pyrimidin-7-yl)-tetrahydro-furan-3,4-diol | 2-Methyl-5-(5-phenyl-4-phenylamino-pyrrolo[2,3-d]pyrimidin-7-yl)-tetrahydro-furan-3,4-diol | 5-phenyl-4-(phenylamino)-7-(5-deoxy-beta-D-ribofuranosyl)-pyrrolo[2,3-d]pyrimidine | CHEMBL100421
Type:
Small organic molecule
Emp. Form.:
C23H22N4O3
Mol. Mass.:
402.4458
SMILES:
C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccccc3)ncnc12
Structure:
Search PDB for entries with ligand similarity: