Ligand name: (2S,4S,5S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-4-hydroxy-2-(propan-2-yl)hexanamide
PDB ligand accession: R32
DrugBank: n/a
PubChem: 57519702
ChEMBL: CHEMBL2079493
InChI Key: RBIIKVXVYVANCQ-CUWPLCDZSA-N
SMILES: CC(C)C(CC(C(CN1CC(=O)N(CC1(C)C)c2ccccc2Cl)N)O)C(=O)NCC(C)(C)C(=O)N
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 P00797

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3VSX	Download	Experimental	e3vsxA1 e3vsxA2 e3vsxB1 e3vsxB2	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot