Ligand name: (4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
PDB ligand accession: 006
DrugBank: n/a
PubChem: 9895503
ChEMBL: CHEMBL231522
InChI Key: KKTYZYHUPKXLPL-RIQJEONASA-N
SMILES: Cc1cccc(c1OCC(=O)NC(Cc2ccccc2)C(C(=O)N3CSC(C3C(=O)NC4c5ccccc5CC4O)(C)C)O)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Peptidomimetics
      • Subclass: Hybrid peptides

List of PDB structures and/or AlphaFold models with target protein P39898

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3QS1	Download	Experimental	e3qs1A2 e3qs1A3 e3qs1B3 e3qs1A2 e3qs1A3 e3qs1B2 e3qs1B3 e3qs1C2 e3qs1C3 e3qs1D3 e3qs1C3 e3qs1D2 e3qs1D3	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot