Ligand name: (4R)-2-METHYLPENTANE-2,4-DIOL
PDB ligand accession: MRD
DrugBank: n/a
PubChem: 5288845
ChEMBL: n/a
InChI Key: SVTBMSDMJJWYQN-RXMQYKEDSA-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
3T9G	Download	Experimental	e3t9gA1 e3t9gB1	Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix	LigPlot
4YZA	Download	Experimental	e4yzaA1	Single-stranded right-handed beta-helix	LigPlot
4Z05	Download	Experimental	e4z05A1 e4z05B1	Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix	LigPlot
4YZ0	Download	Experimental	e4yz0A1 e4yz0B1	Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix	LigPlot
4Z03	Download	Experimental	e4z03B1	Single-stranded right-handed beta-helix	LigPlot
4YZX	Download	Experimental	e4yzxA1	Single-stranded right-handed beta-helix	LigPlot
4Z06	Download	Experimental	e4z06A1	Single-stranded right-handed beta-helix	LigPlot