PDB ligand accession: 1E8
DrugBank: DB09053
PubChem:
ChEMBL:
InChI Key: XYFPWWZEPKGCCK-GOSISDBHSA-N
SMILES: C=CC(=O)N1CCCC(C1)n2c3c(c(n2)c4ccc(cc4)Oc5ccccc5)c(ncn3)N
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Diphenylethers
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
# | DrugDomain Data | UniProt Accession | Drug Action | Affinity data |
---|---|---|---|---|
1 | O14733_1E8 | O14733 | n/a | |
2 | Q06187_1E8 | Q06187 | inhibitor | Ki(nM) = 4.8 IC50(nM) = 0.08 Kd(nM) = 0.64 EC50(nM) = 5.8 |
3 | P00523_1E8 | P00523 | n/a | |
4 | A5K0N4_1E8 | A5K0N4 | n/a | |
5 | Q9BJF5_1E8 | Q9BJF5 | n/a | |
6 | P00533_1E8 | P00533 | n/a | IC50(nM) = 0.5 Kd(nM) = 3.9 EC50(nM) = 49.0 |