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 P0ABE7

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6WZA	Download	Experimental	e6wzaA1 e6wzaB1	Four-helical up-and-down bundle Four-helical up-and-down bundle	LigPlot
7RWW	Download	Experimental	e7rwwA1 e7rwwB1 e7rwwC1 e7rwwD1 e7rwwC1 e7rwwD1	Four-helical up-and-down bundle Four-helical up-and-down bundle Four-helical up-and-down bundle Four-helical up-and-down bundle Four-helical up-and-down bundle Four-helical up-and-down bundle	LigPlot
8DRD	Download	Experimental	e8drdA1 e8drdB1	Four-helical up-and-down bundle Four-helical up-and-down bundle	LigPlot
6WYU	Download	Experimental	e6wyuA1 e6wyuB1 e6wyuC1	Four-helical up-and-down bundle Four-helical up-and-down bundle Four-helical up-and-down bundle	LigPlot