Ligand name: 4-{[5-({(2S)-2-butyl-5-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl}methyl)-1H-imidazol-1-yl]methyl}benzonitrile
PDB ligand accession: XMV
DrugBank: n/a
PubChem: 11756098
ChEMBL: CHEMBL5209874
InChI Key: VSMQDFPGHHELTG-QHCPKHFHSA-N
SMILES: CCCCC1CN(C(=O)CN1Cc2cncn2Cc3ccc(cc3)C#N)c4cccc(c4)OC(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 T2BPA1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7T09	Download	Experimental	e7t09A1 e7t09B1	Repetitive alpha hairpins Repetitive alpha hairpins	LigPlot