PDB ligand accession: DOG
DrugBank: DB03671
PubChem:
ChEMBL:
InChI Key: SHIBSTMRCDJXLN-KCZCNTNESA-N
SMILES: CC12CCC(CC1CCC3C2CC(C4(C3(CCC4C5=CC(=O)OC5)O)C)O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Lipids and lipid-like molecules
- Class: Steroids and steroid derivatives
- Subclass: Steroid lactones
- 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 |
---|---|---|---|---|---|
4J8T | Download | Experimental | e4j8tA1 e4j8tB1 e4j8tC1 e4j8tD1 | Cystatin-like Cystatin-like Cystatin-like Cystatin-like | LigPlot |
4J9A | Download | Experimental | e4j9aA1 e4j9aB1 e4j9aC1 e4j9aD1 e4j9aE1 e4j9aF1 e4j9aG1 e4j9aH1 e4j9aI1 | Cystatin-like Cystatin-like Cystatin-like Cystatin-like Cystatin-like Cystatin-like Cystatin-like Cystatin-like Cystatin-like | LigPlot |