Ligand name: (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-(2,6-dimethylheptan-4-yl)piperidine-3-carboxamide
PDB ligand accession: VYF
DrugBank: n/a
PubChem: 70679351
ChEMBL: CHEMBL2220069
InChI Key: VVEBLTKFUFYNOR-RBBKRZOGSA-N
SMILES: CC(C)CC(CC(C)C)NC(=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
3VYF	Download	Experimental	e3vyfA2 e3vyfA3 e3vyfB2 e3vyfB3	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot