Reaction Details Report a problem with these data
Target
Adenosine kinase
Ligand
BDBM14491
Substrate
BDBM14487
Meas. Tech.
ADK Inhibition Assay
pH
7.5±n/a
Temperature
296.15±n/a K
IC50
9±n/a 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:
BDBM14491
Synonyms:
5-(2H-1,3-benzodioxol-5-yl)-6-{2-[4-(dimethylamino)phenyl]ethynyl}pyrimidin-4-amine | CHEMBL386316 | alkynylpyrimidine 5
Type:
Small organic molecule
Emp. Form.:
C21H18N4O2
Mol. Mass.:
358.3932
SMILES:
CN(C)c1ccc(cc1)C#Cc1ncnc(N)c1-c1ccc2OCOc2c1
Structure:
Search PDB for entries with ligand similarity:
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:
Search PDB for entries with ligand similarity: