Ligand name: RUTIN
PDB ligand accession: RUT
DrugBank: DB01698
PubChem: 5280805
ChEMBL: CHEMBL226335
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

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P42330

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