Ligand Data
Ligand
| Name | CHEMBL288083 |
| SMILES | CCCCCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 |
| InChIKey | MAOUGGYRHFVTDN-NDEPHWFRSA-N |
| Type | small-molecule |
| External Links |
Structure
Properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 16 |
| Molecular weight | 563.3 |
Bioactivity
| Receptor | Affinity (nM) | Potency (nM) | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Min | Avg | Max | Min | Avg | Max |
| β1 | ADRB1 | Human | Adrenoceptors | A (Rhodopsin) | 2000 | 2000 | 2000 | |||
| β3 | ADRB3 | Human | Adrenoceptors | A (Rhodopsin) | 39.0 | 39.0 | 39.0 | |||
| β2 | ADRB2 | Human | Adrenoceptors | A (Rhodopsin) | 1415 | 1415 | 1415 | |||