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 P98170

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4HY0	Download	Experimental	e4hy0A2 e4hy0B2 e4hy0D1 e4hy0G2 e4hy0A2 e4hy0B2 e4hy0C2 e4hy0H2 e4hy0C2 e4hy0E2 e4hy0D1 e4hy0E2 e4hy0B2 e4hy0D1 e4hy0G2 e4hy0A2 e4hy0F2 e4hy0G2 e4hy0F2 e4hy0C2 e4hy0E2 e4hy0H2	Inhibitor of apoptosis (IAP) repeat Inhibitor of apoptosis (IAP) repeat Inhibitor of apoptosis (IAP) repeat Inhibitor of apoptosis (IAP) repeat Inhibitor of apoptosis (IAP) repeat Inhibitor of apoptosis (IAP) repeat Inhibitor of apoptosis (IAP) repeat Inhibitor of apoptosis (IAP) repeat Inhibitor of apoptosis (IAP) repeat Inhibitor of apoptosis (IAP) repeat Inhibitor of apoptosis (IAP) repeat Inhibitor of apoptosis (IAP) repeat Inhibitor of apoptosis (IAP) repeat Inhibitor of apoptosis (IAP) repeat Inhibitor of apoptosis (IAP) repeat Inhibitor of apoptosis (IAP) repeat Inhibitor of apoptosis (IAP) repeat Inhibitor of apoptosis (IAP) repeat Inhibitor of apoptosis (IAP) repeat Inhibitor of apoptosis (IAP) repeat Inhibitor of apoptosis (IAP) repeat Inhibitor of apoptosis (IAP) repeat	LigPlot