Ligand name: N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMINO)-1--METHYL-2-OXOETHYL)AMINO)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL)-3-(ETHYLAMINO)-5-((METHYLSULFONYL)(PHENYL)AMINO)BENZAMIDE
PDB ligand accession: AA9
DrugBank: n/a
PubChem: 9939419
ChEMBL: CHEMBL1210359
InChI Key: SMMANAWVXZZNER-DZMJNENTSA-N
SMILES: CCNc1cc(cc(c1)N(c2ccccc2)S(=O)(=O)C)C(=O)NC(Cc3ccccc3)C(CNC(C)C(=O)NC4CCCCC4)O
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 P56817

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2XFK	Download	Experimental	e2xfkA2 e2xfkA3	cradle loop barrel cradle loop barrel	LigPlot