Ligand Data
Ligand
| Name | (R)-Isoproterenol |
| SMILES | CC(C)NC[C@@H](C1=CC(=C(C=C1)O)O)O |
| InChIKey | JWZZKOKVBUJMES-NSHDSACASA-N |
| Type | small-molecule |
| External Links | |
| Structure pdb | 2Y03 6H7J 7JJO 7DHR |
| Ligand site mutations | β1 β2 |
Structure
Properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 4 |
| Molecular weight | 211.1 |
Bioactivity
| Receptor | Affinity (nM) | Potency (nM) | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Min | Avg | Max | Min | Avg | Max |
| β2 | ADRB2 | Golden hamster | Adrenoceptors | A (Rhodopsin) | 20.0 | 20.0 | 20.0 | |||
| β1 | B0FL73 | Guinea pig | Adrenoceptors | A (Rhodopsin) | 2.2 | 2.2 | 2.2 | |||
| β2 | ADRB2 | Guinea pig | Adrenoceptors | A (Rhodopsin) | 3.0 | 3.0 | 3.0 | |||
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A (Rhodopsin) | 12589 | 12589 | 12589 | |||
| β1 | ADRB1 | Human | Adrenoceptors | A (Rhodopsin) | 7.9 | 35.9 | 52.5 | |||
| β3 | ADRB3 | Human | Adrenoceptors | A (Rhodopsin) | 39.8 | 39.8 | 39.8 | |||
| β2 | ADRB2 | Human | Adrenoceptors | A (Rhodopsin) | 0.1 | 23.0 | 46.0 | 6.3 | 27.4 | 45.7 |
| TSH | TSHR | Human | Glycoprotein hormone | A (Rhodopsin) | 39.8 | 873.6 | 3162.3 | |||