Ligand name: (2~{S},4~{R})-4-[[2-[(1~{R},3~{R})-1-acetyloxy-3-[[(2~{S},3~{S})-2-[[(2~{R})-1,2-dimethylpyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]-methyl-amino]-4-methyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-(4-aminophenyl)-2-methyl-pentanoic acid
PDB ligand accession: 6YK
DrugBank: n/a
PubChem: 123131779
ChEMBL: CHEMBL3929440
InChI Key: YYYFRRSYTVJIOE-WWAIPBPMSA-N
SMILES: CCC(C)C(C(=O)N(C)C(CC(c1nc(cs1)C(=O)NC(Cc2ccc(cc2)N)CC(C)C(=O)O)OC(=O)C)C(C)C)NC(=O)C3(CCCN3C)C
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 D0VWY9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5KX5	Download	Experimental	e5kx5C2 e5kx5B1 e5kx5B2 e5kx5D1 e5kx5D2	Bacillus chorismate mutase-like Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like	LigPlot