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 Q79SH7

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3HTI	Download	Experimental	e3htiA2 e3htiA1	Tetracyclin repressor-like, C-terminal domain HTH	LigPlot