Ligand name: MALACHITE GREEN
PDB ligand accession: MGR
DrugBank: DB03895
PubChem: 11295
ChEMBL: CHEMBL1181633
InChI Key: VFCNQNZNPKRXIT-UHFFFAOYSA-N
SMILES: CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Diphenylmethanes

List of PDB structures and/or AlphaFold models with target protein E3G817

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5VLG	Download	Experimental	e5vlgA1 e5vlgA2 e5vlgB1 e5vlgB2 e5vlgC1 e5vlgC2 e5vlgD1 e5vlgD2 e5vlgE1 e5vlgE2 e5vlgF1 e5vlgF2 e5vlgG1 e5vlgG2 e5vlgH1 e5vlgH2	HTH Tetracyclin repressor-like, C-terminal domain HTH Tetracyclin repressor-like, C-terminal domain HTH Tetracyclin repressor-like, C-terminal domain HTH Tetracyclin repressor-like, C-terminal domain HTH Tetracyclin repressor-like, C-terminal domain HTH Tetracyclin repressor-like, C-terminal domain Tetracyclin repressor-like, C-terminal domain HTH Tetracyclin repressor-like, C-terminal domain HTH	LigPlot