Ligand name: 1-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
PDB ligand accession: 45E
DrugBank: n/a
PubChem: 1072048
ChEMBL: CHEMBL3827954
InChI Key: LUMCNRKHZRYQOV-UHFFFAOYSA-N
SMILES: Cc1cccc(c1)OCC(=O)N2CCN(CC2)C(=O)c3cccc(c3OC)OC
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Methoxybenzenes

List of PDB structures and/or AlphaFold models with target protein Q8VDS3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4X3T	Download	Experimental	e4x3tA1 e4x3tB1 e4x3tC1 e4x3tA1 e4x3tB1 e4x3tA1 e4x3tC1 e4x3tF1 e4x3tD1 e4x3tE1 e4x3tC1 e4x3tF1	SH3 SH3 SH3 SH3 SH3 SH3 SH3 SH3 SH3 SH3 SH3 SH3	LigPlot