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 Q5SI02

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2J40	Download	Experimental	e2j40A1 e2j40A2 e2j40A1 e2j40A2 e2j40B2	ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like	LigPlot
2BHP	Download	Experimental	e2bhpA1 e2bhpA2 e2bhpB1	ALDH-like ALDH-like ALDH-like	LigPlot
2J5N	Download	Experimental	e2j5nA2 e2j5nB1 e2j5nB2 e2j5nA1 e2j5nA2 e2j5nB2	ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like	LigPlot
2BJK	Download	Experimental	e2bjkA1 e2bjkB1 e2bjkB2 e2bjkB1 e2bjkB2	ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like	LigPlot
2BJA	Download	Experimental	e2bjaA1 e2bjaA2 e2bjaB2	ALDH-like ALDH-like ALDH-like	LigPlot
2IY6	Download	Experimental	e2iy6A2 e2iy6B1	ALDH-like ALDH-like	LigPlot
2BHQ	Download	Experimental	e2bhqA1 e2bhqA2 e2bhqB2 e2bhqB1	ALDH-like ALDH-like ALDH-like ALDH-like	LigPlot