PDB ligand accession: BDS
DrugBank: DB02154
PubChem:
ChEMBL:
InChI Key: FFYBYVPVYLMLAR-KBPBESRZSA-N
SMILES: c1cc2c(cc1CC(C(Cc3ccc4c(c3)OCO4)C(=O)O)C(=O)O)OCO2
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Lignans, neolignans and related compounds
- Class: Dibenzylbutane lignans
- Subclass: None
- Class: Dibenzylbutane lignans
- Superclass: Lignans, neolignans and related compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1JJT | Download | Experimental | e1jjtA1 e1jjtB1 | Metallo-hydrolase/oxidoreductase Metallo-hydrolase/oxidoreductase | LigPlot |