Ligand name: (2S)-2-[(3R)-3-(acetylamino)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-{(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]propan-2-yl}-4-phenylbutanamide
PDB ligand accession: PB8
DrugBank: n/a
PubChem: 24997667
ChEMBL: CHEMBL1915985
InChI Key: JJJDOYFRIVNWHV-WUCUQKTKSA-N
SMILES: CC(C)CC1(CCN(C1=O)C(CCc2ccccc2)C(=O)NC(Cc3cc(cc(c3)F)F)C(C4Cc5ccccc5CN4)O)NC(=O)C
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
3SKG	Download	Experimental	e3skgA2 e3skgA3 e3skgB2 e3skgB3 e3skgD2 e3skgD3 e3skgE2 e3skgE3	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot