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Target
Adenosine kinase
Ligand
BDBM50090858
Substrate
n/a
Meas. Tech.
ChEMBL_31114 (CHEMBL642225)
IC50
2000±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:
BDBM50090858
Synonyms:
(2R,3R,4S,5R)-2-(4-(4-nitrobenzylthio)-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-5-methyl-tetrahydrofuran-3,4-diol | 2-[5-Iodo-4-(4-nitro-benzylsulfanyl)-pyrrolo[2,3-d]pyrimidin-7-yl]-5-methyl-tetrahydro-furan-3,4-diol | CHEMBL95482
Type:
Small organic molecule
Emp. Form.:
C18H17IN4O5S
Mol. Mass.:
528.321
SMILES:
C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(SCc3ccc(cc3)[N+]([O-])=O)ncnc12 |r|
Structure:
Search PDB for entries with ligand similarity: