Ligand name: N-[(1S,5S)-5-{[(4-aminophenyl)sulfonyl](3-methylbutyl)amino}-1-methyl-6-oxohexyl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide
PDB ligand accession: 595
DrugBank: n/a
PubChem: 49866525
ChEMBL: n/a
InChI Key: JSZGHYRPBNJGPM-ZMAXYJRFSA-N
SMILES: CC(C)CCN(C(CCCC(C)NC(=O)C(C(c1ccccc1)c2ccccc2)NC(=O)OC)C=O)S(=O)(=O)c3ccc(cc3)N
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q9WFL7

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3M9F	Download	Experimental	e3m9fA1 e3m9fB1	cradle loop barrel cradle loop barrel	LigPlot