Ligand name: DIETHYL ({4-[(2S,3R)-2-({[(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)-3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONATE
PDB ligand accession: KGQ
DrugBank: n/a
PubChem: 12004117
ChEMBL: CHEMBL1233845
InChI Key: FCLYPCIMVVLLRN-FXSYQQGGSA-N
SMILES: CCOP(=O)(COc1ccc(cc1)CC(C(CN(CC(C)C)S(=O)(=O)c2ccc(cc2)OC)O)NC(=O)OC3COC4C3CCO4)OCC
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 Q90JJ9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4M8Y	Download	Experimental	e4m8yA1 e4m8yB1	cradle loop barrel cradle loop barrel	LigPlot
4M8X	Download	Experimental	e4m8xA1 e4m8xB1	cradle loop barrel cradle loop barrel	LigPlot