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 Q976W8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3AIL	Download	Experimental	e3ailA1 e3ailB1 e3ailB1 e3ailC1 e3ailD1	alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases	LigPlot
3AIK	Download	Experimental	e3aikA1 e3aikB1 e3aikC1 e3aikD1 e3aikD1	alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases	LigPlot
3AIM	Download	Experimental	e3aimA1 e3aimB1 e3aimC1 e3aimD1 e3aimD1	alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases	LigPlot
3AIN	Download	Experimental	e3ainB1 e3ainC1 e3ainC1 e3ainD1	alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases	LigPlot
3AIO	Download	Experimental	e3aioB1 e3aioC1 e3aioC1 e3aioD1	alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases	LigPlot