Ligand name: (4S)-2-METHYL-2,4-PENTANEDIOL
PDB ligand accession: MPD
DrugBank: DB03564
PubChem: 5288834
ChEMBL: n/a
InChI Key: SVTBMSDMJJWYQN-YFKPBYRVSA-N
SMILES: CC(CC(C)(C)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Alcohols and polyols

List of PDB structures and/or AlphaFold models with target protein Q9R9V9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8A8I	Download	Experimental	e8a8iB1	TIM beta/alpha-barrel	LigPlot
8AU9	Download	Experimental	e8au9B1 e8au9A1	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot
8AU8	Download	Experimental	e8au8A1 e8au8B1	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot
8AUH	Download	Experimental	e8auhA1 e8auhB1	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot