Reaction Details Report a problem with these data
Target
Adenosine kinase
Ligand
BDBM50090848
Substrate
n/a
Meas. Tech.
ChEBML_31135
IC50
1200±n/a nM
Citation
 González, MP; Moldes del Carmen Terán, M A TOPS-MODE approach to predict adenosine kinase inhibition. Bioorg Med Chem Lett 14:3077-9 (2004) [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:
BDBM50090848
Synonyms:
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(5-iodo-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-tetrahydrofuran-3,4-diol | (2R,3S,4R,5R)-2-Hydroxymethyl-5-(5-iodo-4-methylamino-pyrrolo[2,3-d]pyrimidin-7-yl)-tetrahydro-furan-3,4-diol | 2-Hydroxymethyl-5-(5-iodo-4-methylamino-pyrrolo[2,3-d]pyrimidin-7-yl)-tetrahydro-furan-3,4-diol | CHEMBL319177
Type:
Small organic molecule
Emp. Form.:
C12H15IN4O4
Mol. Mass.:
406.1764
SMILES:
CNc1ncnc2n(cc(I)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Structure:
Search PDB for entries with ligand similarity: