PDB ligand accession: NTH
DrugBank: DB08308
PubChem:
ChEMBL: n/a
InChI Key: IRQUJNVGEAJGSD-KIEDKLRZSA-N
SMILES: CC12CCC3C(C1CCC2OC(=O)CCC(=O)O)CCC4=CC(=O)CCC34
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Lipids and lipid-like molecules
- Class: Steroids and steroid derivatives
- Subclass: Steroid esters
- 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 |
---|---|---|---|---|---|
1BUQ | Download | Experimental | e1buqA1 e1buqB1 | Cystatin-like Cystatin-like | LigPlot |