Ligand name: N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE
PDB ligand accession: GNQ
DrugBank: n/a
PubChem: 9547980
ChEMBL: CHEMBL212604
InChI Key: LIOLGHUQUQDMDF-AVRDEDQJSA-N
SMILES: CC(CNc1ccc(cc1)OC(F)(F)F)NC(=O)C(CS(=O)(=O)Cc2ccccc2)NC(=O)N3CCOCC3
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 P25774

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2HHN	Download	Experimental	e2hhnA2 e2hhnB1	Cysteine proteinases-like Cysteine proteinases-like	LigPlot
2HH5	Download	Experimental	e2hh5A1 e2hh5B1	Cysteine proteinases-like Cysteine proteinases-like	LigPlot