Ligand name: N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
PDB ligand accession: BSD
DrugBank: n/a
PubChem: 24882306
ChEMBL: CHEMBL403268
InChI Key: HIQWWDCRULXYDF-SWROZOJRSA-N
SMILES: CC(c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)NC(Cc3ccccc3)C(CNCc4cccc(c4)OC)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
5MCO	Download	Experimental	e5mcoA1 e5mcoA2	cradle loop barrel cradle loop barrel	LigPlot
2VKM	Download	Experimental	e2vkmA2 e2vkmA3 e2vkmB2 e2vkmB3 e2vkmC2 e2vkmC3 e2vkmD2 e2vkmD3	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