PDB ligand accession: ARE
DrugBank: DB04453
PubChem:
ChEMBL: n/a
InChI Key: JUCZMZWYUIRMPL-NPPSNIQKSA-N
SMILES: CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)NC3C=C(C(C(C3O)O)OC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O)O)CO
Drug action: ligand
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic oxygen compounds
- Class: Organooxygen compounds
- Subclass: Carbohydrates and carbohydrate conjugates
- Class: Organooxygen compounds
- Superclass: Organic oxygen compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1XH2 | Download | Experimental | e1xh2A2 | TIM beta/alpha-barrel | LigPlot |
1XD0 | Download | Experimental | e1xd0A2 | TIM beta/alpha-barrel | LigPlot |
3BAJ | Download | Experimental | e3bajA2 | TIM beta/alpha-barrel | LigPlot |
3BAY | Download | Experimental | e3bayA2 | TIM beta/alpha-barrel | LigPlot |