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 C9K1X5

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7AO0	Download	Experimental	e7ao0A1 e7ao0B1	Terpenoid synthases Terpenoid synthases	LigPlot
7AO2	Download	Experimental	e7ao2A1 e7ao2B1	Terpenoid synthases Terpenoid synthases	LigPlot
7AO1	Download	Experimental	e7ao1A1 e7ao1B1	Terpenoid synthases Terpenoid synthases	LigPlot
7AO5	Download	Experimental	e7ao5A1 e7ao5B1 e7ao5B1	Terpenoid synthases Terpenoid synthases Terpenoid synthases	LigPlot
7AO4	Download	Experimental	e7ao4A1 e7ao4B1	Terpenoid synthases Terpenoid synthases	LigPlot
6GGI	Download	Experimental	e6ggiB1 e6ggiA1	Terpenoid synthases Terpenoid synthases	LigPlot
7AO3	Download	Experimental	e7ao3A1 e7ao3B1 e7ao3B1	Terpenoid synthases Terpenoid synthases Terpenoid synthases	LigPlot