Ligand Data

Ligand

id 269
Name adenosine
SMILES OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N
InChIKey OIRDTQYFTABQOQ-KQYNXXCUSA-N
Type small-molecule
External Links
Structure pdb 2YDO 6D9H 7LD4 7LD3
Ligand site mutations A1 A2A A2B A3

Structure

Properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 2
Molecular weight 267.1


Bioactivity

Receptor Affinity (nM) Potency (nM)
GTP Uniprot Species Family Class Min Avg Max Min Avg Max
A1 AA1R Guinea pig Adenosine A (Rhodopsin) 3388 3388 3388
A1 AA1R Rat Adenosine A (Rhodopsin) 5.1 5807.6 29000.0
A2B AA2BR Human Adenosine A (Rhodopsin) 23500 28464 51286
A3 AA3R Human Adenosine A (Rhodopsin) 1.1 1.1 1.1 290 440 1040
A2A AA2AR Human Adenosine A (Rhodopsin) 20.0 360.0 700.0 700 8097 40000
A1 AA1R Human Adenosine A (Rhodopsin) 2.3 2.3 2.3 39.0 743.0 2511.9