Ligand name: (2~{S})-~{N}-[(1~{R},2~{S})-1-cyano-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-3-phenyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanamide
PDB ligand accession: E22
DrugBank: n/a
PubChem: 137349222
ChEMBL: n/a
InChI Key: UJFNOZFDUMAJFU-XSAZPJIKSA-N
SMILES: c1ccc(cc1)CC(C(=O)NC(CC2CCCNC2=O)C(C#N)O)NC(=O)C=Cc3ccccc3
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 A0A0X1KHD2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5BPE	Download	Experimental	e5bpeA1	cradle loop barrel	LigPlot