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 B2HVG8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3O83	Download	Experimental	e3o83B2	Rossmann-like domain in Acetyl-CoA synthetase-like proteins	LigPlot
3U16	Download	Experimental	e3u16B3	Rossmann-like domain in Acetyl-CoA synthetase-like proteins	LigPlot
3O84	Download	Experimental	e3o84B2	Rossmann-like domain in Acetyl-CoA synthetase-like proteins	LigPlot
3U17	Download	Experimental	e3u17B3	Rossmann-like domain in Acetyl-CoA synthetase-like proteins	LigPlot