Ligand name: N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE
PDB ligand accession: 5HA
DrugBank: n/a
PubChem: 5287532
ChEMBL: CHEMBL378225
InChI Key: VPNIQGRFZCTBEZ-SPTGULJVSA-N
SMILES: CC(c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)NC(Cc3ccccc3)C(CNC4CC4)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 P56817

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3TPR	Download	Experimental	e3tprA2 e3tprA3	cradle loop barrel cradle loop barrel	LigPlot
2B8L	Download	Experimental	e2b8lA2 e2b8lA3	cradle loop barrel cradle loop barrel	LigPlot
3TPP	Download	Experimental	e3tppA2 e3tppA3	cradle loop barrel cradle loop barrel	LigPlot