Ligand name: (2S,4S,5S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-6-{4-[2-(3-methoxypropoxy)phenyl]-3-oxopiperazin-1-yl}-2-(propan-2-yl)hexanamide
PDB ligand accession: R31
DrugBank: n/a
PubChem: 57519701
ChEMBL: n/a
InChI Key: FOAHAYKWNMPVJI-FUDKSRODSA-N
SMILES: CC(C)C(CC(C(CN1CCN(C(=O)C1)c2ccccc2OCCCOC)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
3VSW	Download	Experimental	e3vswA2 e3vswA3 e3vswB2 e3vswB3	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot