Ligand Data
Ligand
| 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 |