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
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Lactones
- Subclass: Delta valerolactones
- Class: Lactones
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1CQP | Download | Experimental | e1cqpA1 e1cqpB1 | HAD domain-related HAD domain-related | LigPlot |
7KC6 | Download | Experimental | e7kc6C1 e7kc6A1 | HAD domain-related HAD domain-related | LigPlot |