Target
Adenosine kinase
Ligand
BDBM50090863
Substrate
n/a
Meas. Tech.
ChEBML_31135
IC50
34.7±n/a nM
Citation
 González, MPMoldes 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:
BDBM50090863
Synonyms:
(2R,3R,4S,5R)-2-(4-Amino-5-iodo-pyrrolo[2,3-d]pyrimidin-7-yl)-5-azidomethyl-tetrahydro-furan-3,4-diol | (2R,3R,4S,5R)-2-(4-amino-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(azidomethyl)-tetrahydrofuran-3,4-diol | 2-(4-Amino-5-iodo-pyrrolo[2,3-d]pyrimidin-7-yl)-5-azidomethyl-tetrahydro-furan-3,4-diol | CHEMBL318043
Type:
Small organic molecule
Emp. Form.:
C11H12IN7O3
Mol. Mass.:
417.1626
SMILES:
Nc1ncnc2n(cc(I)c12)[C@@H]1O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]1O |r|
Structure:
Search PDB for entries with ligand similarity: