PDB ligand accession: A80
DrugBank: DB04942
PubChem:
ChEMBL:
InChI Key: MUTNCGKQJGXKEM-UHFFFAOYSA-N
SMILES: CC1(CCC(c2c1ccc(c2)NC(=O)c3ccc(cc3)C(=O)O)(C)C)C
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Tetralins
- Subclass: None
- Class: Tetralins
- Superclass: Benzenoids
# | DrugDomain Data | UniProt Accession | Drug Action | Affinity data |
---|---|---|---|---|
1 | P10826_A80 | P10826 | agonist | Ki(nM) = 30.0 EC50(nM) = 235.0 |
2 | P30043_A80 | P30043 | n/a | Kd(nM) = 1380.0 |
3 | P10276_A80 | P10276 | agonist | Ki(nM) = 6.5 IC50(nM) = 78.0 EC50(nM) = 45.0 |
4 | P62964_A80 | P62964 | n/a |