Reaction Details Report a problem with these data
Target
Adenosine kinase
Ligand
BDBM50090846
Substrate
n/a
Meas. Tech.
ChEMBL_31119 (CHEMBL643547)
IC50
1000±n/a nM
Citation
 Srikanth, K; Debnath, B; Jha, T QSAR study on adenosine kinase inhibition of pyrrolo[2,3-d]pyrimidine nucleoside analogues using the hansch approach. Bioorg Med Chem Lett 12:899-902 (2002) [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:
BDBM50090846
Synonyms:
4-Amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyl-tetrahydro-furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester | 4-Amino-7-(3,4-dihydroxy-5-methyl-tetrahydro-furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester | CHEMBL95256 | ethyl 4-amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyl-tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
Type:
Small organic molecule
Emp. Form.:
C14H18N4O5
Mol. Mass.:
322.3165
SMILES:
CCOC(=O)c1cn([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)c2ncnc(N)c12 |r|
Structure:
Search PDB for entries with ligand similarity: