Ligand name: BENZOFURAN-2-CARBOXYLIC ACID {(S)-3-METHYL-1-[3-OXO-1-(PYRIDIN-2-YLSULFONYL)AZEPAN-4-YLCARBAMOYL]BUTYL}AMIDE
PDB ligand accession: 2CA
DrugBank: DB03642
PubChem: 5287468
ChEMBL: CHEMBL286364
InChI Key: VBPPNJCVXGAZDD-PMACEKPBSA-N
SMILES: CC(C)CC(C(=O)NC1CCCN(CC1=O)S(=O)(=O)c2ccccn2)NC(=O)c3cc4ccccc4o3
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 drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P43235

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1NLJ	Download	Experimental	e1nljB1 e1nljA1 e1nljB1	Cysteine proteinases-like Cysteine proteinases-like Cysteine proteinases-like	LigPlot