Ligand name: 4-({2-[(4-tert-butylbenzoyl)amino]benzoyl}amino)benzoic acid
PDB ligand accession: 31D
DrugBank: n/a
PubChem: 1255603
ChEMBL: CHEMBL4854082
InChI Key: JNIQPWWGQWIPLQ-UHFFFAOYSA-N
SMILES: CC(C)(C)c1ccc(cc1)C(=O)Nc2ccccc2C(=O)Nc3ccc(cc3)C(=O)O
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q96RI1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4QE8	Download	Experimental	e4qe8A1 e4qe8B1	Nuclear receptor ligand-binding domain Nuclear receptor ligand-binding domain	LigPlot