PDB ligand accession: RUT
DrugBank: DB01698
PubChem:
ChEMBL:
InChI Key: IKGXIBQEEMLURG-NVPNHPEKSA-N
SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(Oc4cc(cc(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O)O)O)O)O
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Phenylpropanoids and polyketides
- Class: Flavonoids
- Subclass: Flavonoid glycosides
- Class: Flavonoids
- Superclass: Phenylpropanoids and polyketides
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1RY8 | Download | Experimental | e1ry8A1 e1ry8B1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |