Target
Adenosine kinase
Ligand
BDBM50090865
Substrate
n/a
Meas. Tech.
ChEBML_31135
IC50
1200±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:
BDBM50090865
Synonyms:
(2R,3R,4S,5R)-2-(4-Amino-5-iodo-pyrrolo[2,3-d]pyrimidin-7-yl)-5-methoxymethyl-tetrahydro-furan-3,4-diol | (2R,3R,4S,5R)-2-(4-amino-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(methoxymethyl)-tetrahydrofuran-3,4-diol | 2-(4-Amino-5-iodo-pyrrolo[2,3-d]pyrimidin-7-yl)-5-methoxymethyl-tetrahydro-furan-3,4-diol | CHEMBL322217
Type:
Small organic molecule
Emp. Form.:
C12H15IN4O4
Mol. Mass.:
406.1764
SMILES:
COC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12 |r|
Structure:
Search PDB for entries with ligand similarity: