Ligand name: benzyl [(1S)-5-amino-1-{[(1S)-1-({(1S)-5-amino-1-[(S)-1,3-benzoxazol-2-yl(hydroxy)methyl]pentyl}carbamoyl)-3-phenylpropyl]carbamoyl}pentyl]carbamate
PDB ligand accession: B4C
DrugBank: n/a
PubChem: 44629721
ChEMBL: n/a
InChI Key: HJDPWVALYXRQIB-QUUJSONZSA-N
SMILES: c1ccc(cc1)CCC(C(=O)NC(CCCCN)C(c2nc3ccccc3o2)O)NC(=O)C(CCCCN)NC(=O)OCc4ccccc4
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 Q16651

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3E16	Download	Experimental	e3e16B1	cradle loop barrel	LigPlot