Ligand name: (3S,10aS)-2-[(2S)-2-cyclohexyl-2-{[(2S)-2-(methylamino)butanoyl]amino}acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole-3-carboxamide
PDB ligand accession: 2DY
DrugBank: n/a
PubChem: 60198985
ChEMBL: CHEMBL3094408
InChI Key: TYXHMZBEDPKUQY-HDFVOGAFSA-N
SMILES: CCC(C(=O)NC(C1CCCCC1)C(=O)N2CC3Cc4ccccc4N3CC2C(=O)NC5CCOc6c5cccc6)NC
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 Q13490

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4MU7	Download	Experimental	e4mu7A1 e4mu7B1	Inhibitor of apoptosis (IAP) repeat Inhibitor of apoptosis (IAP) repeat	LigPlot