Reaction Details Report a problem with these data
Target
Adenosine kinase
Ligand
BDBM50090841
Substrate
n/a
Meas. Tech.
ChEBML_31135
IC50
1350±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:
BDBM50090841
Synonyms:
(2R,3R,4S,5R)-2-(4-Amino-5-methylsulfanyl-pyrrolo[2,3-d]pyrimidin-7-yl)-5-methyl-tetrahydro-furan-3,4-diol | (2R,3R,4S,5R)-2-(4-amino-5-(methylthio)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-5-methyl-tetrahydrofuran-3,4-diol | 2-(4-Amino-5-methylsulfanyl-pyrrolo[2,3-d]pyrimidin-7-yl)-5-methyl-tetrahydro-furan-3,4-diol | CHEMBL317927
Type:
Small organic molecule
Emp. Form.:
C12H16N4O3S
Mol. Mass.:
296.345
SMILES:
CSc1cn([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)c2ncnc(N)c12 |r|
Structure:
Search PDB for entries with ligand similarity: