Ligand name: 1-{4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]phenyl}ethanone
PDB ligand accession: 41N
DrugBank: n/a
PubChem: 1245700
ChEMBL: CHEMBL1376995
InChI Key: DMJGPASMZSNEAZ-UHFFFAOYSA-N
SMILES: CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)c3ccc4c(c3)OCO4
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Carbonyl compounds

List of PDB structures and/or AlphaFold models with target protein P9WQ81

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4XJP	Download	Experimental	e4xjpA1 e4xjpA2 e4xjpB1 e4xjpA2 e4xjpB1 e4xjpB2	C-terminal domain in some PLP-dependent transferases PLP-dependent transferases PLP-dependent transferases PLP-dependent transferases PLP-dependent transferases C-terminal domain in some PLP-dependent transferases	LigPlot