Ligand name: (3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-5-methoxypentyl]-N-{(1S)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide
PDB ligand accession: 72X
DrugBank: n/a
PubChem: 42615261
ChEMBL: CHEMBL496430
InChI Key: LGUUOHMUYOBFQP-MAARLIENSA-N
SMILES: CNCC(CC1CCCCC1)NC(=O)N2CCCC(C2)C(CCCCOC)(c3cccc(c3)Cl)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Piperidines
      • Subclass: Piperidinecarboxylic acids and derivatives

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
3GW5	Download	Experimental	e3gw5B3 e3gw5A2 e3gw5A3 e3gw5B2 e3gw5B3 e3gw5A2 e3gw5A3	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot