PDB ligand accession: ETS
DrugBank: DB00869
PubChem:
ChEMBL:
InChI Key: IAVUPMFITXYVAF-XPUUQOCRSA-N
SMILES: CCNC1CC(S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)C
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Thiophenes
- Subclass: 2,3,5-trisubstituted thiophenes
- Class: Thiophenes
- Superclass: Organoheterocyclic compounds
# | DrugDomain Data | UniProt Accession | Drug Action | Affinity data |
---|---|---|---|---|
1 | P22748_ETS | P22748 | inhibitor | Ki(nM) = 43.0 IC50(nM) = 32.0 |
2 | P07451_ETS | P07451 | inhibitor | Ki(nM) = 8000.0 |
3 | P00918_ETS | P00918 | inhibitor | Ki(nM) = 0.111 IC50(nM) = 0.23 Kd(nM) = 0.043 |
4 | P00915_ETS | P00915 | inhibitor | Ki(nM) = 500.0 IC50(nM) = 1583.63 |