Ligand name: (3R)-3-[(1S)-4-(acetylamino)-1-(3-chlorophenyl)-1-hydroxybutyl]-N-{(1S)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide
PDB ligand accession: 22X
DrugBank: n/a
PubChem: 44543660
ChEMBL: CHEMBL589399
InChI Key: PPGUIDOUTGLYCO-MAARLIENSA-N
SMILES: CC(=O)NCCCC(c1cccc(c1)Cl)(C2CCCN(C2)C(=O)NC(CC3CCCCC3)CNC)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Phenylbutylamines

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
3KM4	Download	Experimental	e3km4A2 e3km4A3 e3km4B2 e3km4B3	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot