Ligand name: [4-(diphenylmethyl)piperazin-1-yl](3-methyl-4-nitrophenyl)methanone
PDB ligand accession: 3UE
DrugBank: n/a
PubChem: 1357556
ChEMBL: n/a
InChI Key: FJZPDGSOVGNVJO-UHFFFAOYSA-N
SMILES: Cc1cc(ccc1[N+](=O)[O-])C(=O)N2CCN(CC2)C(c3ccccc3)c4ccccc4
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q5JRX3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4RPU	Download	Experimental	e4rpuA4 e4rpuB2	LuxS, MPP, ThrRS/AlaRS common domain LuxS, MPP, ThrRS/AlaRS common domain	LigPlot