Ligand name: (3~{S},6~{S},7~{S},9~{a}~{S})-~{N}-[(4-~{tert}-butylphenyl)methyl]-7-(hydroxymethyl)-6-[[(2~{S})-2-(methylamino)butanoyl]amino]-5-oxidanylidene-1,2,3,6,7,8,9,9~{a}-octahydropyrrolo[1,2-a]azepine-3-carboxamide
PDB ligand accession: C3T
DrugBank: n/a
PubChem: 134693853
ChEMBL: n/a
InChI Key: NJWOUDIHXORURQ-PMAMDCHESA-N
SMILES: CCC(C(=O)NC1C(CCC2CCC(N2C1=O)C(=O)NCc3ccc(cc3)C(C)(C)C)CO)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
6EY2	Download	Experimental	e6ey2A1 e6ey2B1 e6ey2C1 e6ey2A1 e6ey2B1 e6ey2G1 e6ey2C1 e6ey2F1 e6ey2D1 e6ey2B1 e6ey2C1 e6ey2D1 e6ey2E1 e6ey2F1 e6ey2H1 e6ey2G1 e6ey2H1	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