Ligand name: (3S,6S)-3-(4-hydroxybenzyl)-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione
PDB ligand accession: 1GB
DrugBank: n/a
PubChem: 7408259
ChEMBL: CHEMBL191476
InChI Key: ZJDMXAAEAVGGSK-ROUUACIJSA-N
SMILES: c1ccc2c(c1)c(c[nH]2)CC3C(=O)NC(C(=O)N3)Cc4ccc(cc4)O
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 P0A514

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4IQ9	Download	Experimental	e4iq9A1	Cytochrome P450	LigPlot