PDB ligand accession: n/a
DrugBank: DB00412
InChI Key: YASAKCUCGLMORW-HNNXBMFYSA-N
SMILES: CN(CCOc1ccc(cc1)CC2C(=O)NC(=O)S2)c3ccccn3
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Phenol ethers
- Subclass: None
- Class: Phenol ethers
- Superclass: Benzenoids
# | DrugDomain Data | UniProt Accession | Protein name | Drug Action | Affinity data |
---|---|---|---|---|---|
1 | O60488_DB00412 | O60488 | Long-chain-fatty-acid--CoA ligase 4 | inhibitor | |
2 | Q03181_DB00412 | Q03181 | Peroxisome proliferator-activated receptor | n/a | EC50(nM) = 5248.0 |
3 | Q07869_DB00412 | Q07869 | Peroxisome proliferator-activated receptor | n/a | EC50(nM) = 240.0 |
4 | P48443_DB00412 | P48443 | Retinoic acid receptor | n/a | |
5 | P19793_DB00412 | P19793 | Retinoic acid receptor | n/a | Kd(nM) = 15010.0 |
6 | P28702_DB00412 | P28702 | Retinoic acid receptor | n/a | |
7 | P37231_DB00412 | P37231 | Peroxisome proliferator-activated receptor | agonist | Ki(nM) = 8.0 IC50(nM) = 7.7 Kd(nM) = 1.2 EC50(nM) = 1.0 koff(s-1) = 0.145 |