Ligand name: CRYSTAL VIOLET
PDB ligand accession: CVI
DrugBank: DB00406
PubChem: 3468
ChEMBL: CHEMBL459265
InChI Key: LGLFFNDHMLKUMI-UHFFFAOYSA-N
SMILES: CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C
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
5VLM	Download	Experimental	e5vlmA1 e5vlmA2 e5vlmB1 e5vlmB2 e5vlmC1 e5vlmC2 e5vlmD1 e5vlmD2 e5vlmE1 e5vlmE2 e5vlmF1 e5vlmF2 e5vlmG1 e5vlmG2 e5vlmH1 e5vlmH2	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 Tetracyclin repressor-like, C-terminal domain HTH Tetracyclin repressor-like, C-terminal domain HTH Tetracyclin repressor-like, C-terminal domain HTH HTH Tetracyclin repressor-like, C-terminal domain	LigPlot