Ligand name: {(2R)-1-[4-({3-METHYL-5-[(PHENYLSULFONYL)METHYL]PHENOXY}METHYL)BENZYL]PYRROLIDIN-2-YL}METHANOL
PDB ligand accession: GYR
DrugBank: n/a
PubChem: 66577038
ChEMBL: CHEMBL3134157
InChI Key: NPUXORBZRBIOMQ-RUZDIDTESA-N
SMILES: Cc1cc(cc(c1)OCc2ccc(cc2)CN3CCCC3CO)CS(=O)(=O)c4ccccc4
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q9NYA1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4V24	Download	Experimental	e4v24A1 e4v24A2 e4v24B1 e4v24B2	NAD kinase beta sandwich domain-like Flavodoxin-like NAD kinase beta sandwich domain-like Flavodoxin-like	LigPlot