Ligand name: (3S,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
PDB ligand accession: 2IO
DrugBank: n/a
PubChem: 192731
ChEMBL: CHEMBL1957404
InChI Key: XWYXUMDVQIOAPR-UWVGGRQHSA-N
SMILES: CC(C)CC1C(=O)NC(C(=O)N1)CC(C)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of PDB structures and/or AlphaFold models with target protein A0A380DQV1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7OW9	Download	Experimental	e7ow9A1	Cytochrome P450	LigPlot