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 B9MKT4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4YZ0	Download	Experimental	e4yz0A1 e4yz0B1	Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix	LigPlot
4Z03	Download	Experimental	e4z03A1 e4z03B1	Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix	LigPlot
3T9G	Download	Experimental	e3t9gA1 e3t9gB1	Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix	LigPlot
4YZQ	Download	Experimental	e4yzqA1 e4yzqB1	Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix	LigPlot
4Z06	Download	Experimental	e4z06A1 e4z06B1	Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix	LigPlot
4YZX	Download	Experimental	e4yzxA1 e4yzxB1	Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix	LigPlot
4EW9	Download	Experimental	e4ew9A1 e4ew9B1	Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix	LigPlot
4YZA	Download	Experimental	e4yzaA1 e4yzaB1	Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix	LigPlot
4Z05	Download	Experimental	e4z05A1 e4z05B1 e4z05B1	Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix	LigPlot