Reaction Details Report a problem with these data
Target
Adenosine receptor A3
Ligand
BDBM50389150
Substrate
n/a
Meas. Tech.
ChEMBL_833211 (CHEMBL2067575)
Ki
11±n/a nM
Citation
 Tosh, DK; Deflorian, F; Phan, K; Gao, ZG; Wan, TC; Gizewski, E; Auchampach, JA; Jacobson, KA Structure-guided design of A(3) adenosine receptor-selective nucleosides: combination of 2-arylethynyl and bicyclo[3.1.0]hexane substitutions. J Med Chem 55:4847-60 (2012) [PubMed]  Article 
Target
Name:
Adenosine receptor A3
Synonyms:
A3AR | AA3R_MOUSE | Adenosine A3 receptor | Adora3 | Gpcr2
Type:
PROTEIN
Mol. Mass.:
36460.91
Organism:
Mus musculus
Description:
ChEMBL_1515686
Residue:
319
Sequence:
MEADNTTETDWLNITYITMEAAIGLCAVVGNMLVIWVVKLNPTLRTTTVYFIVSLALADIAVGVLVIPLAIAVSLQVKMHFYACLFMSCVLLIFTHASIMSLLAIAVHRYLRVKLTVRYRTVTTQRRIWLFLGLCWLVSFLVGLTPMFGWNRKATLASSQNSSTLLCHFRSVVSLDYMVFFSFITWILVPLVVMCIIYLDIFYIIRNKLSQNLTGFRETRAFYGREFKTAKSLFLVLFLFALCWLPLSIINFVSYFDVKIPDVAMCLGILLSHANSMMNPIVYACKIKKFKETYFLILRAVRLCQTSDSLDSNMEQTTE
  
Inhibitor
Name:
BDBM50389150
Synonyms:
CHEMBL2064660
Type:
Small organic molecule
Emp. Form.:
C34H29ClN6O3
Mol. Mass.:
605.085
SMILES:
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#Cc1ccc(cc1)-c1ccccc1 |r|
Structure:
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