Ligand Data
Ligand
| Name | CHEMBL1783826 |
| SMILES | O=C(NCCCN1CCC(c2c(Cl)cccc2Cl)CC1)[C@H]1CCCN1Cc1ccccc1 |
| InChIKey | UWHDLFOAIARROU-XMMPIXPASA-N |
| Type | small-molecule |
| External Links | |
| Structure pdb | 5DHG |
Structure
Properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 8 |
| Molecular weight | 473.2 |
Bioactivity
| Receptor | Affinity (nM) | Potency (nM) | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Min | Avg | Max | Min | Avg | Max |
| NOP | OPRX | Human | Opioid | A (Rhodopsin) | 0.1 | 0.1 | 0.1 | |||