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 Q9AJS0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5E2J	Download	Experimental	e5e2jA2 e5e2jB2	Repetitive alpha hairpins Immunoglobulin-like beta-sandwich	LigPlot
3GZK	Download	Experimental	e3gzkA4	Immunoglobulin-like beta-sandwich	LigPlot
3RX8	Download	Experimental	e3rx8A2	Repetitive alpha hairpins	LigPlot
3EZ8	Download	Experimental	e3ez8A1	Repetitive alpha hairpins	LigPlot
3H3K	Download	Experimental	e3h3kA2	Repetitive alpha hairpins	LigPlot