Ligand name: 1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol
PDB ligand accession: 04C
DrugBank: n/a
PubChem: 137347833
ChEMBL: n/a
InChI Key: SLVOSRJOLWNALP-QAKIEGLASA-N
SMILES: CC(CO)C(C(Cc1ccccc1)NC(=O)C(Cc2ccc(cc2)OC)NC(=O)C(C)NC(=O)CN3CCOCC3)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of PDB structures and/or AlphaFold models with target protein Q9R1P1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3UNF	Download	Experimental	e3unfH1 e3unfI1 e3unfW1 e3unfV1	Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C	LigPlot
3UNB	Download	Experimental	e3unbH1 e3unbI1 e3unbW1 e3unbV1 e3unbk1 e3unbj1 e3unby1 e3unbx1	Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C	LigPlot