Ligand name: 2-methyl-L-alanyl-N-[(3R,4S,5S)-3-methoxy-1-{(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-{[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino}propyl]pyrrolidin-1-yl}-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide
PDB ligand accession: 3WD
DrugBank: n/a
PubChem: 71569947
ChEMBL: CHEMBL3359827
InChI Key: QAAFNSMAIAVCHE-BZLYQNAUSA-N
SMILES: CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(Cc2ccccc2)c3nccs3)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C)(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 D0VWY9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4X1I	Download	Experimental	e4x1iC2 e4x1iB1 e4x1iB2 e4x1iD1 e4x1iD2	Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like	LigPlot