Ligand name: (3S,4R,5R)-N-cyclopropyl-N'-[(2R)-1-ethoxy-4-methylpentan-2-yl]-4-hydroxy-N-[5-(propan-2-yl)pyridin-2-yl]piperidine-3,5-dicarboxamide
PDB ligand accession: 2Y9
DrugBank: n/a
PubChem: 25143506
ChEMBL: CHEMBL3318957
InChI Key: YOVGCKBDPOHLAV-CNIHBODFSA-N
SMILES: CCOCC(CC(C)C)NC(=O)C1CNCC(C1O)C(=O)N(c2ccc(cn2)C(C)C)C3CC3
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

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
4Q1N	Download	Experimental	e4q1nA1 e4q1nA2 e4q1nB1 e4q1nB2	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot