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 D0ZP76

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3VW2	Download	Experimental	e3vw2A1 e3vw2A2 e3vw2B1 e3vw2B2 e3vw2C1 e3vw2C2 e3vw2D1 e3vw2D2	Tetracyclin repressor-like, C-terminal domain HTH HTH Tetracyclin repressor-like, C-terminal domain HTH Tetracyclin repressor-like, C-terminal domain Tetracyclin repressor-like, C-terminal domain HTH	LigPlot