Ligand name: [(1S)-3-methyl-1-[[(2S)-3-phenyl-2-(pyrazin-2-ylcarbonylamino)propanoyl]amino]butyl]boronic acid
PDB ligand accession: FN3
DrugBank: n/a
PubChem: 24871309
ChEMBL: CHEMBL524664
InChI Key: GXJABQQUPOEUTA-DOTOQJQBSA-N
SMILES: B(C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)c2cnccn2)(O)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 Q2YSF8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6L40	Download	Experimental	e6l40E1 e6l40A1 e6l40B1 e6l40C1 e6l40D1 e6l40F1 e6l40G1 e6l40H1 e6l40I1 e6l40J1 e6l40K1 e6l40L1 e6l40M1 e6l40N1	ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase	LigPlot