Ligand name: 2-{[(2S)-butan-2-yl]amino}-N-{(1R,2S)-1-hydroxy-3-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-2-yl}-6-(methylsulfonyl)pyridine-4-carboxamide
PDB ligand accession: DJS
DrugBank: n/a
PubChem: 131800991
ChEMBL: CHEMBL4117641
InChI Key: CNZLAHITQXPOEJ-YLTWVVNKSA-N
SMILES: CCC(C)Nc1cc(cc(n1)S(=O)(=O)C)C(=O)NC(Cc2ccccc2)C(C3CCCN3)O
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P56817

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6BFD	Download	Experimental	e6bfdA1 e6bfdA2 e6bfdB1 e6bfdB2	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot