Ligand name: (2S)-2-AMINO-2-BENZYL-3-HYDROXYPROPYL 3-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-5-[METHYL(METHYLSULFONYL)AMINO]BENZOATE
PDB ligand accession: I03
DrugBank: n/a
PubChem: 11963550
ChEMBL: n/a
InChI Key: JVYHUOIVVLDSHT-GDJIYFAZSA-N
SMILES: CC(c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)OCC(Cc3ccccc3)(CO)N
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 P56817

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2IS0	Download	Experimental	e2is0A2 e2is0A3	cradle loop barrel cradle loop barrel	LigPlot