Ligand name: benzyl [(2S)-1-({(2R)-1-[(1S,2S)-2-{[(2R,3S,4S)-3-formyl-2-hydroxy-4-methylhexanoyl]amino}cyclopropyl]-4-phenylbutan-2-yl}amino)-1-oxopropan-2-yl]carbamate
PDB ligand accession: 1KR
DrugBank: n/a
PubChem: 137347965
ChEMBL: n/a
InChI Key: BJVKWRUSMPCCJX-WILFWELSSA-N
SMILES: CCC(C)C(C=O)C(C(=O)NC1CC1CC(CCc2ccccc2)NC(=O)C(C)NC(=O)OCc3ccccc3)O
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 P25451

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4J70	Download	Experimental	e4j70J1 e4j70K1 e4j70W1 e4j70X1 e4j70I1 e4j70J1 e4j70X1 e4j70Y1	Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C	LigPlot