Ligand name: (2S)-2-hydroxy-2-(propan-2-yl)butanedioic acid
PDB ligand accession: VPM
DrugBank: n/a
PubChem: 5280523
ChEMBL: n/a
InChI Key: BITYXLXUCSKTJS-ZETCQYMHSA-N
SMILES: CC(C)C(CC(=O)O)(C(=O)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Lipids and lipid-like molecules
    • Class: Fatty Acyls
      • Subclass: Fatty acids and conjugates

List of PDB structures and/or AlphaFold models with target protein B0SN40

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4OV9	Download	Experimental	e4ov9A1	TIM beta/alpha-barrel	LigPlot