Ligand name: 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID
PDB ligand accession: BES
DrugBank: DB03424
PubChem: 72172;6992132;
ChEMBL: CHEMBL29292
InChI Key: VGGGPCQERPFHOB-RDBSUJKOSA-N
SMILES: CC(C)CC(C(=O)O)NC(=O)C(C(Cc1ccccc1)N)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Peptidomimetics
      • Subclass: Hybrid peptides

List of PDB structures and/or AlphaFold models with target protein Q96KP4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4RUH	Download	Experimental	e4ruhA2 e4ruhA3 e4ruhB1 e4ruhA2 e4ruhB1 e4ruhB2	Alpha-beta plaits Phosphorylase/hydrolase-like Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Phosphorylase/hydrolase-like	LigPlot