Ligand name: S-[2-[3-[[(2R)-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoylamino]ethyl] (2R)-2-methyl-3-oxidanylidene-pentanethioate
PDB ligand accession: 8H6
DrugBank: n/a
PubChem: 101793875
ChEMBL: n/a
InChI Key: JDSOHAIZYDPIDP-RISCZKNCSA-N
SMILES: CCC(=O)C(C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)CO)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 Q93NW7

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5XWV	Download	Experimental	e5xwvA1 e5xwvA2 e5xwvB1 e5xwvB2	Rossmann-like Rossmann-like Rossmann-like Rossmann-like	LigPlot
5XWW	Download	Experimental	e5xwwA1 e5xwwA2 e5xwwB1 e5xwwB2	Rossmann-like Rossmann-like Rossmann-like Rossmann-like	LigPlot