Ligand name: (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-(3-methylbutyl)piperidine-3-carboxamide
PDB ligand accession: VYE
DrugBank: n/a
PubChem: 70679350
ChEMBL: CHEMBL2220087
InChI Key: OIPASSZLGANZOF-ZWKOTPCHSA-N
SMILES: CC(C)CCNC(=O)C1CC(CNC1)N2CC(=O)N(CC2(C)C)c3ccccc3Cl
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 P00797

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3VYE	Download	Experimental	e3vyeA2 e3vyeA3 e3vyeB2 e3vyeB3	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot