Ligand name: (4S)-4-amino-N-[(2S,3S)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide
PDB ligand accession: 79G
DrugBank: n/a
PubChem: 118988333
ChEMBL: n/a
InChI Key: YPJHJNRFPZWLPW-AWCRTANDSA-N
SMILES: CC(C)CN(CC(C(Cc1ccccc1)NC(=O)c2ccc3c(c2)C(CCO3)N)O)S(=O)(=O)c4ccc(cc4)OC
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q9J006

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4RVX	Download	Experimental	e4rvxA1 e4rvxB1 e4rvxC1 e4rvxA1 e4rvxC1 e4rvxD1	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot