PDB ligand accession: 803
DrugBank: DB00227
PubChem:
ChEMBL:
InChI Key: PCZOHLXUXFIOCF-BXMDZJJMSA-N
SMILES: CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Lactones
- Subclass: Delta valerolactones
- Class: Lactones
- Superclass: Organoheterocyclic compounds
# | DrugDomain Data | UniProt Accession | Drug Action | Affinity data |
---|---|---|---|---|
1 | P04035_803 | P04035 | inhibitor | IC50(nM) = 2.2 |
2 | P20701_803 | P20701 | inhibitor | IC50(nM) = 2400.0 Kd(nM) = 12900.0 |
3 | Q92769_803 | Q92769 | inhibitor | IC50(nM) = 25933.0 |