Ligand name: WRR-112
PDB ligand accession: RL2
DrugBank: DB03691
InChI Key: KVZMXOVSHIMGNA-HOTGVXAUSA-N
SMILES: CC(C)CCNC(=O)C(CCc1ccccc1)NC(=O)C(CC(=O)O)O
Drug action: inhibitor

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 Q9UBX1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
Q9UBX1	Download	Predicted	Q9UBX1_F1_nD1 Q9UBX1_F1_nD2	Cystatin-like Cysteine proteinases-like
1M6D		Predicted	e1m6dB1 e1m6dA1