Ligand Data
Ligand
| Name | CHEMBL345208 |
| SMILES | Oc1ccc2c3c1O[C@H]1[C@H](OCc4ccccc4N=C=S)CC[C@@]4(O)C(C2)N(CC2CC2)CCC314 |
| InChIKey | ASQKMNDCAVTNOQ-OWGJQLEISA-N |
| Type | small-molecule |
| External Links |
Structure
Properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 6 |
| Molecular weight | 490.2 |
Bioactivity
| Receptor | Affinity (nM) | Potency (nM) | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Min | Avg | Max | Min | Avg | Max |
| κ | OPRK | Guinea pig | Opioid | A (Rhodopsin) | 8.2 | 8.2 | 8.2 | |||
| δ | OPRD | Human | Opioid | A (Rhodopsin) | 1.8 | 1.8 | 1.8 | |||