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Target
Adenosine kinase
Ligand
BDBM14486
Substrate
BDBM14487
Meas. Tech.
ADK Inhibition Assay
pH
7.5±n/a
Temperature
296.15±n/a K
IC50
0.9±0.1 nM
Citation
 Muchmore, SW; Smith, RA; Stewart, AO; Cowart, MD; Gomtsyan, A; Matulenko, MA; Yu, H; Severin, JM; Bhagwat, SS; Lee, CH; Kowaluk, EA; Jarvis, MF; Jakob, CL Crystal structures of human adenosine kinase inhibitor complexes reveal two distinct binding modes. J Med Chem 49:6726-31 (2006) [PubMed]  Article 
Target
Name:
Adenosine kinase
Synonyms:
ADENOSINE | ADK_RAT | Adenosine 5-phosphotransferase | Adenosine Kinase (AK) | Adenosine kinase | Adk
Type:
Enzyme
Mol. Mass.:
40130.14
Organism:
Rattus norvegicus (rat)
Description:
Rat brain cytosol as enzyme source.
Residue:
361
Sequence:
MAAADEPKPKKLKVEAPEALSENVLFGMGNPLLDISAVVDKDFLDKYSLKPNDQILAEDKHKELFDELVKKFKVEYHAGGSTQNSMKVAQWMIQEPHRAATFFGCIGIDKFGEILKSKAADAHVDAHYYEQNEQPTGTCAACITGGNRSLVANLAAANCYKKEKHLDLENNWMLVEKARVYYIAGFFLTVSPESVLKVARYAAENNRTFTLNLSAPFISQFFKEALMEVMPYVDILFGNETEAATFAREQGFETKDIKEIARKTQALPKVNSKRQRTVIFTQGRDDTIVATGNDVTAFPVLDQNQEEIVDTNGAGDAFVGGFLSQLVSNKPLTECIRAGHYAASVIIRRTGCTFPEKPDFH
  
Inhibitor
Name:
BDBM14486
Synonyms:
(2R,3R,4S,5R)-2-(2-amino-9-iodo-3,5,7-triazabicyclo[4.3.0]nona-1,3,5,8-tetraen-7-yl)-5-methyl-oxolane-3,4-diol | (2R,3R,4S,5R)-2-{4-amino-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-5-methyloxolane-3,4-diol | 5-IT | 5-Iodo-5-deoxytubercidin | 7-(5-deoxy-beta-D-ribofuranosyl)-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-4-amine | CHEMBL66280
Type:
Small organic molecule
Emp. Form.:
C11H13IN4O3
Mol. Mass.:
376.1504
SMILES:
C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12 |r|
Structure:
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Substrate
Name:
BDBM14487
Synonyms:
(2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol | Adenine-beta-D-arabinofuranoside | Adenosine | CHEMBL477 | N6-Methylado | [U-14C]adenosine | cid_191 | cid_60961
Type:
Nucleoside or nucleotide
Emp. Form.:
C10H13N5O4
Mol. Mass.:
267.2413
SMILES:
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Structure:
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