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 P46085

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4EN6	Download	Experimental	e4en6B1 e4en6B2 e4en6A1 e4en6B2 e4en6A1	jelly-roll Aerolysin family of pore-forming toxins Aerolysin family of pore-forming toxins Aerolysin family of pore-forming toxins Aerolysin family of pore-forming toxins	LigPlot
4EN8	Download	Experimental	e4en8A1 e4en8B3 e4en8B1 e4en8A1 e4en8B3	Aerolysin family of pore-forming toxins Aerolysin family of pore-forming toxins jelly-roll Aerolysin family of pore-forming toxins Aerolysin family of pore-forming toxins	LigPlot
4EN9	Download	Experimental	e4en9A1 e4en9B3 e4en9B1 e4en9A1 e4en9B3	Aerolysin family of pore-forming toxins Aerolysin family of pore-forming toxins jelly-roll Aerolysin family of pore-forming toxins Aerolysin family of pore-forming toxins	LigPlot
4EN7	Download	Experimental	e4en7A2 e4en7B3 e4en7B1 e4en7A2 e4en7B3	Aerolysin family of pore-forming toxins Aerolysin family of pore-forming toxins jelly-roll Aerolysin family of pore-forming toxins Aerolysin family of pore-forming toxins	LigPlot