Ligand name: N-[(4-ethylphenyl)methyl]-2-[(6aR)-6-oxo-3-(pyrrolidine-1-carbonyl)-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxalin-5-yl]acetamide
PDB ligand accession: O4S
DrugBank: n/a
PubChem: 138857916
ChEMBL: n/a
InChI Key: HPKMORZWWWMLAR-XMMPIXPASA-N
SMILES: CCc1ccc(cc1)CNC(=O)CN2c3cc(ccc3N4CCCCC4C2=O)C(=O)N5CCCC5
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 Q0P6M7

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6P86	Download	Experimental	e6p86A3 e6p86C3	Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix	LigPlot