Ligand name: (2R)-2-amino-3-(3-chlorophenyl)-1-[4-(2,5-difluorobenzoyl)piperazin-1-yl]propan-1-one
PDB ligand accession: 0DI
DrugBank: n/a
PubChem: 53249967
ChEMBL: CHEMBL1812334
InChI Key: NASCAWUSOSJBJH-GOSISDBHSA-N
SMILES: c1cc(cc(c1)Cl)CC(C(=O)N2CCN(CC2)C(=O)c3cc(ccc3F)F)N
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 Q9BY41

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3SFF	Download	Experimental	e3sffA1	HAD domain-related	LigPlot