Ligand name: 4-nitro-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)phenol
PDB ligand accession: WDV
DrugBank: n/a
PubChem: 1376219;7440803;
ChEMBL: n/a
InChI Key: NZPUDXBEGUWKPV-UHFFFAOYSA-N
SMILES: c1cc(cc(c1)N2CCN(CC2)Cc3cc(ccc3O)[N+](=O)[O-])C(F)(F)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazinanes
      • Subclass: Piperazines

List of PDB structures and/or AlphaFold models with target protein P42330

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4XVD	Download	Experimental	e4xvdA1 e4xvdB1	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot