Ligand name: 4-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxo-pentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamoyl]benzoic acid
PDB ligand accession: FRW
DrugBank: n/a
PubChem: 49866998
ChEMBL: n/a
InChI Key: FGNPKLCZJAUKFU-BZSNNMDCSA-N
SMILES: CC(C)C(C(=O)C(F)(F)F)NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)c2ccc(cc2)C(=O)O
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P00772

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3HGP	Download	Experimental	e3hgpA1	cradle loop barrel	LigPlot
3HGN	Download	Experimental	e3hgnA1	cradle loop barrel	LigPlot