Ligand name: 3-Fluoro-4-{[(2R)-2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl)acetyl]amino}benzoic acid
PDB ligand accession: 394
DrugBank: DB07031
InChI Key: AANFHDFOMFRLLR-LJQANCHMSA-N
SMILES: CC1(CCC(c2c1ccc(c2)C(C(=O)Nc3ccc(cc3F)C(=O)O)O)(C)C)C
Drug action: agonist

ClassyFire chemical classification:

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

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P13631

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
P13631	Download	Predicted	P13631_F1_nD2 P13631_F1_nD1	Nuclear receptor ligand-binding domain Glucocorticoid receptor-like
1EXA		Predicted	e1exaA1
1EXX		Predicted	e1exxA1
1FCX		Predicted	e1fcxA1
1FCY		Predicted	e1fcyA1
1FCZ		Predicted	e1fczA1
1FD0		Predicted	e1fd0A1
2LBD		Predicted	e2lbdA1
3LBD		Predicted	e3lbdA1
4LBD		Predicted	e4lbdA1
5M24		Predicted	e5m24A1
6FX0		Predicted	e6fx0A1