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 Q97BK3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3A9W	Download	Experimental	e3a9wA1 e3a9wB1	Rossmann-like Rossmann-like	LigPlot
3AJR	Download	Experimental	e3ajrA1 e3ajrA1 e3ajrB1	Rossmann-like Rossmann-like Rossmann-like	LigPlot
3A4V	Download	Experimental	e3a4vA1 e3a4vA1 e3a4vB1	Rossmann-like Rossmann-like Rossmann-like	LigPlot