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 Q8Y5F1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5LOQ	Download	Experimental	e5loqA2 e5loqC1 e5loqC2 e5loqA1 e5loqA2 e5loqB2 e5loqC1 e5loqD1 e5loqD2 e5loqB1 e5loqB2 e5loqE1	Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits	LigPlot
6FXQ	Download	Experimental	e6fxqA2 e6fxqC1 e6fxqC2 e6fxqA1 e6fxqA2 e6fxqB2 e6fxqC1 e6fxqD1 e6fxqD2 e6fxqB1 e6fxqB2 e6fxqE2	Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits	LigPlot