Ligand name: methyl (2-{(R)-(3-chlorophenyl)[(3R)-1-({(2S)-2-(methylamino)-3-[(3R)-tetrahydro-2H-pyran-3-yl]propyl}carbamoyl)piperidin-3-yl] methoxy}ethyl)carbamate
PDB ligand accession: RX5
DrugBank: DB12416
PubChem: 16126898
ChEMBL: CHEMBL1276678
InChI Key: NXWASIVXQMMPLM-ZXMXYHOLSA-N
SMILES: CNC(CC1CCCOC1)CNC(=O)N2CCCC(C2)C(c3cccc(c3)Cl)OCCNC(=O)OC
Drug action: inhibitor

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
3Q4B	Download	Experimental	e3q4bB3 e3q4bA2 e3q4bA3 e3q4bB2 e3q4bB3 e3q4bA2 e3q4bA3	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot