Ligand name: (2R,4S,5S)-5-amino-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-2-ethyl-4-hydroxy-N-[(1R,2S,3S,5S,7S)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]hexanamide
PDB ligand accession: HHE
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: MGQQKSSUXHKDSK-PTMRNKDMSA-N
SMILES: CCC(CC(C(CN1CC(=O)N(CC1(C)C)c2ccccc2Cl)N)O)C(=O)NC3C4CC5CC3CC(C5)(C4)O
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
3VUC	Download	Experimental	e3vucA2 e3vucA3 e3vucB2 e3vucB3	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot