PDB ligand accession: E2B
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: RSVOVHDOLNWYER-RYZVYYIHSA-N
SMILES: CC12CCC3c4ccc(cc4CCC3C1CC(C2O)Cc5cccc(c5)C(=O)N)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Lipids and lipid-like molecules
- Class: Steroids and steroid derivatives
- Subclass: Estrane 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 |
---|---|---|---|---|---|
3HB5 | Download | Experimental | e3hb5X1 | Rossmann-like | LigPlot |
3HB4 | Download | Experimental | e3hb4X1 | Rossmann-like | LigPlot |