Ligand name: (3S,7R,8aR)-2-{(2S)-2-(4,4-difluorocyclohexyl)-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-ethoxyoctahydropyrrolo[1,2-a]pyrazine-3-carboxamide
PDB ligand accession: 1AQ
DrugBank: n/a
PubChem: 50913339
ChEMBL: CHEMBL2316217
InChI Key: WQLHYSFOEZZZDD-QAPMSZJWSA-N
SMILES: CCOC1CC2CN(C(CN2C1)C(=O)NC3CCOc4c3cccc4)C(=O)C(C5CCC(CC5)(F)F)NC(=O)C(C)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
4HY5	Download	Experimental	e4hy5A2 e4hy5B2	Inhibitor of apoptosis (IAP) repeat Inhibitor of apoptosis (IAP) repeat	LigPlot