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Target
Adenosine kinase
Ligand
BDBM50000300
Substrate
n/a
Meas. Tech.
ChEMBL_31119 (CHEMBL643547)
IC50
120±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:
BDBM50000300
Synonyms:
(2R,3R,4S,5R)-2-(4-Amino-5-bromo-pyrrolo[2,3-d]pyrimidin-7-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol | (2R,3R,4S,5R)-2-(4-amino-5-bromo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol | 2-(4-Amino-5-bromo-pyrrolo[2,3-d]pyrimidin-7-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol | 2-(4-Amino-5-bromo-pyrrolo[2,3-d]pyrimidin-7-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol (Br-Tub) | 2-(4-Amino-5-bromo-pyrrolo[2,3-d]pyrimidin-7-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol(5-Bromotubercidin) | CHEMBL62099
Type:
Small organic molecule
Emp. Form.:
C11H13BrN4O4
Mol. Mass.:
345.149
SMILES:
Nc1ncnc2n(cc(Br)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Structure:
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