Ligand name: N-[(2S)-2-(3,5-dichlorophenyl)-2-(ethylamino)acetyl]-3-methyl-L-valyl-N-[3-(methylsulfonyl)propyl]glycinamide
PDB ligand accession: 3VK
DrugBank: n/a
PubChem: 137348181
ChEMBL: n/a
InChI Key: ZSBXAULTZFUUMY-RBUKOAKNSA-N
SMILES: CCNC(c1cc(cc(c1)Cl)Cl)C(=O)NC(C(=O)NCC(=O)NCCCS(=O)(=O)C)C(C)(C)C
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 B9A5C1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4WX6	Download	Experimental	e4wx6A1 e4wx6C1	Cysteine proteinases-like Cysteine proteinases-like	LigPlot