PDB ligand accession: 7T1
DrugBank: DB05416
PubChem:
ChEMBL:
InChI Key: YDBLKRPLXZNVNB-UHFFFAOYSA-N
SMILES: Cc1cc(ccc1OCC(=O)O)SCc2c(nc(s2)c3ccc(cc3)C(F)(F)F)C
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Phenoxyacetic acid derivatives
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
# | DrugDomain Data | UniProt Accession | Drug Action | Affinity data |
---|---|---|---|---|
1 | Q03181_7T1 | Q03181 | agonist | Ki(nM) = 0.048 IC50(nM) = 1.0 EC50(nM) = 0.18 |
2 | Q07869_7T1 | Q07869 | agonist | IC50(nM) = 463.0 EC50(nM) = 229.0 |