Ligand name: BERBERINE
PDB ligand accession: BER
DrugBank: DB04115
PubChem: 2353
ChEMBL: CHEMBL295124
InChI Key: YBHILYKTIRIUTE-UHFFFAOYSA-N
SMILES: COc1ccc2cc-3[n+](cc2c1OC)CCc4c3cc5c(c4)OCO5
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Alkaloids and derivatives
    • Class: Protoberberine alkaloids and derivatives
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q54276

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7C34	Download	Experimental	e7c34A2 e7c34A3 e7c34B1 e7c34A1 e7c34B2 e7c34B3	TIM beta/alpha-barrel FKBP-like WW domain-like WW domain-like TIM beta/alpha-barrel FKBP-like	LigPlot