PDB ligand accession: n/a
DrugBank: DB01183
InChI Key: UZHSEJADLWPNLE-GRGSLBFTSA-N
SMILES: C=CCN1CCC23c4c5ccc(c4OC2C(=O)CCC3(C1C5)O)O
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Phenanthrenes and derivatives
- Subclass: None
- Class: Phenanthrenes and derivatives
- Superclass: Benzenoids
| # | DrugDomain Data | UniProt Accession | Protein name | Drug Action | Affinity data |
|---|---|---|---|---|---|
| 1 | P35372_DB01183 | P35372 | Mu-type opioid receptor | antagonist | Ki(nM) = 0.23 IC50(nM) = 2.0 |
| 2 | P41145_DB01183 | P41145 | Kappa-type opioid receptor | antagonist | Ki(nM) = 0.25 IC50(nM) = 1.5 EC50(nM) = 6.6 |
| 3 | P41143_DB01183 | P41143 | Delta-type opioid receptor | antagonist | Ki(nM) = 16.0 IC50(nM) = 4.3 |
| 4 | P03372_DB01183 | P03372 | Estrogen receptor (ER) | antagonist | |
| 5 | O00206_DB01183 | O00206 | Toll-like receptor 4 | inhibitor | |
| 6 | P23141_DB01183 | P23141 | Liver carboxylesterase 1 | binder |