Ligand name: 2-methyl-L-prolyl-N-[(3R,4S,5S)-1-{(2S)-2-[(1R,2R)-3-{[(1S)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide
PDB ligand accession: 3WY
DrugBank: n/a
PubChem: 71569001
ChEMBL: n/a
InChI Key: IHPVMHRTGNEZNG-SJZZQOMKSA-N
SMILES: CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(Cc2ccccc2)C(=O)O)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C3(CCCN3)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 D0VWY9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4X20	Download	Experimental	e4x20C2 e4x20B1 e4x20B2 e4x20D1 e4x20D2	Bacillus chorismate mutase-like Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like	LigPlot