Ligand name: (2R)-2,4-dihydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide
PDB ligand accession: PNY
DrugBank: n/a
PubChem: 439322
ChEMBL: CHEMBL1738861
InChI Key: ZNXZGRMVNNHPCA-VIFPVBQESA-N
SMILES: CC(C)(CO)C(C(=O)NCCC(=O)NCCS)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 Q831P9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3ND7	Download	Experimental	e3nd7A1 e3nd7C1 e3nd7B1 e3nd7F1 e3nd7C1 e3nd7E1 e3nd7B1 e3nd7D1 e3nd7A1 e3nd7E1 e3nd7D1 e3nd7F1	HUP domain-like HUP domain-like HUP domain-like HUP domain-like HUP domain-like HUP domain-like HUP domain-like HUP domain-like HUP domain-like HUP domain-like HUP domain-like HUP domain-like	LigPlot