Ligand name: N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMINO)-1-METHYL-2-OXOETHYL)AMINO)-2-HYDROXY-1-( PHENYLMETHYL)PROPYL)-3-((METHYLSULFONYL)(PHENYL)AMINO) BENZAMIDE
PDB ligand accession: XFI
DrugBank: n/a
PubChem: 10416248
ChEMBL: CHEMBL1210329
InChI Key: PSSKPAZTPVDDNS-RJSONGRPSA-N
SMILES: CC(C(=O)NC1CCCCC1)NCC(C(Cc2ccccc2)NC(=O)c3cccc(c3)N(c4ccccc4)S(=O)(=O)C)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
2XFI	Download	Experimental	e2xfiA2 e2xfiA3	cradle loop barrel cradle loop barrel	LigPlot