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 Q8IKG4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5JMW	Download	Experimental	e5jmwA2 e5jmwB2 e5jmwB3 e5jmwB4	1-deoxy-D-xylulose-5-phosphate reductoisomerase-C 1-deoxy-D-xylulose-5-phosphate reductoisomerase-C Rossmann-like 1-deoxy-D-xylulose-5-phosphate reductoisomerase-C	LigPlot