PDB ligand accession: PDN
DrugBank: DB00635
PubChem:
ChEMBL: n/a
InChI Key: WZTZVUUYKIOIRV-LMZHSBCYSA-N
SMILES: CC12CC(=O)C3C(C1CCC2(C(=CO)O)O)CCC4=CC(=O)C=CC34C
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Lipids and lipid-like molecules
- Class: Steroids and steroid derivatives
- Subclass: Pregnane steroids
- Class: Steroids and steroid derivatives
- Superclass: Lipids and lipid-like molecules
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1H61 | Download | Experimental | e1h61A1 | TIM beta/alpha-barrel | LigPlot |