PDB ligand accession: ALE
DrugBank: DB00668
PubChem: 5816;139148732;
ChEMBL:
InChI Key: UCTWMZQNUQWSLP-VIFPVBQESA-N
SMILES: CNCC(c1ccc(c(c1)O)O)O
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Phenols
- Subclass: Benzenediols
- Class: Phenols
- Superclass: Benzenoids
# | DrugDomain Data | UniProt Accession | Drug Action | Affinity data |
---|---|---|---|---|
1 | Q99325_ALE | Q99325 | n/a | |
2 | P08913_ALE | P08913 | agonist | Ki(nM) = 5.0 IC50(nM) = 8.0 EC50(nM) = 30.0 |
3 | P07550_ALE | P07550 | agonist | Ki(nM) = 360.0 Kd(nM) = 630.0 EC50(nM) = 1380.0 |
4 | P00441_ALE | P00441 | n/a | |
5 | D9IEF7_ALE | D9IEF7 | n/a | |
6 | P25100_ALE | P25100 | antagonist | |
7 | P08588_ALE | P08588 | agonist | EC50(nM) = 290.0 |
8 | P00918_ALE | P00918 | n/a | |
9 | P00720_ALE | P00720 | n/a | |
10 | P35348_ALE | P35348 | agonist | Ki(nM) = 2000.0 EC50(nM) = 400.0 |
11 | P01375_ALE | P01375 | antagonist | |
12 | P35368_ALE | P35368 | agonist | EC50(nM) = 75.0 |
13 | P18089_ALE | P18089 | agonist |