Ligand name: N-[(5S)-5-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-6-hydroxyhexyl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide
PDB ligand accession: A00
DrugBank: DB05961
PubChem: 513956
ChEMBL: CHEMBL168640
InChI Key: QAHLFXYLXBBCPS-IZEXYCQBSA-N
SMILES: CC(C)CN(C(CCCCNC(=O)C(C(c1ccccc1)c2ccccc2)NC(=O)OC)CO)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
2QMP	Download	Experimental	e2qmpB1 e2qmpA1	cradle loop barrel cradle loop barrel	LigPlot