Ligand Data
Ligand
| Name | CHEMBL218708 |
| SMILES | COc1cccc(/C(=C/CNC(C)=O)c2ccccc2)c1 |
| InChIKey | SJNURYXTMIYOKB-WOJGMQOQSA-N |
| Type | small-molecule |
| External Links |
Structure
Properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 5 |
| Molecular weight | 281.1 |
Bioactivity
| Receptor | Affinity (nM) | Potency (nM) | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Min | Avg | Max | Min | Avg | Max |
| MT2 | MTR1B | Human | Melatonin | A (Rhodopsin) | 2.5 | 2.5 | 2.5 | |||
| MT1 | MTR1A | Human | Melatonin | A (Rhodopsin) | 230 | 230 | 230 | |||