Reaction Details Report a problem with these data
Target
Adenosine kinase
Ligand
BDBM50090867
Substrate
n/a
Meas. Tech.
ChEMBL_31114 (CHEMBL642225)
IC50
0.1±n/a nM
Citation
 Ugarkar, BG; DaRe, JM; Kopcho, JJ; Browne, CE; Schanzer, JM; Wiesner, JB; Erion, MD Adenosine kinase inhibitors. 1. Synthesis, enzyme inhibition, and antiseizure activity of 5-iodotubercidin analogues. J Med Chem 43:2883-93 (2000) [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:
BDBM50090867
Synonyms:
(2R,3S,4R,5R)-2-(aminomethyl)-5-(4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-tetrahydrofuran-3,4-diol | (2R,3S,4R,5R)-2-Aminomethyl-5-(4-chloro-5-iodo-pyrrolo[2,3-d]pyrimidin-7-yl)-tetrahydro-furan-3,4-diol | 2-Aminomethyl-5-(4-chloro-5-iodo-pyrrolo[2,3-d]pyrimidin-7-yl)-tetrahydro-furan-3,4-diol | CHEMBL330432
Type:
Small organic molecule
Emp. Form.:
C11H12ClIN4O3
Mol. Mass.:
410.595
SMILES:
NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(Cl)ncnc12 |r|
Structure:
Search PDB for entries with ligand similarity: