Ligand name: (4R)-3-[(2S,3S)-3-{[(4-amino-2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-N-(2-methylprop -2-en-1-yl)-1,3-thiazolidine-4-carboxamide
PDB ligand accession: KNJ
DrugBank: n/a
PubChem: 9872768
ChEMBL: CHEMBL573975
InChI Key: YCDHYYBDJVMMOY-SCTDOJESSA-N
SMILES: Cc1cc(cc(c1OCC(=O)NC(Cc2ccccc2)C(C(=O)N3CSC(C3C(=O)NCC(=C)C)(C)C)O)C)N
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 Q9EKL4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3A2O	Download	Experimental	e3a2oA1 e3a2oB1	cradle loop barrel cradle loop barrel	LigPlot