PDB ligand accession: X17
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: HZIOSWLCMNAEBB-HJBSZYCQSA-N
SMILES: Cc1cc(ccc1OC)C2(C(=O)N(C(=N2)N)C)C34CC5CC(C3)CC(C5)C4
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Lipids and lipid-like molecules
- Class: Prenol lipids
- Subclass: Sesquiterpenoids
- Class: Prenol lipids
- Superclass: Lipids and lipid-like molecules
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3INE | Download | Experimental | e3ineA2 e3ineA3 | cradle loop barrel cradle loop barrel | LigPlot |