Ligand name: N-(2-methylpropyl)-N-({5-[4-(methylsulfonyl)phenyl]thiophen-2-yl}methyl)-1-phenylmethanesulfonamide
PDB ligand accession: 39K
DrugBank: n/a
PubChem: 77620538
ChEMBL: CHEMBL3263696
InChI Key: RXMHSSANSKRGOG-UHFFFAOYSA-N
SMILES: CC(C)CN(Cc1ccc(s1)c2ccc(cc2)S(=O)(=O)C)S(=O)(=O)Cc3ccccc3
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 P51449

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4QM0	Download	Experimental	e4qm0A1 e4qm0C1	Nuclear receptor ligand-binding domain Nuclear receptor ligand-binding domain	LigPlot