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 A0AAJ6N6D6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8IC6	Download	Experimental	e8ic6B1 e8ic6B2 e8ic6A1	Repetitive alpha hairpins Glycosyl hydrolase domain-like Glycosyl hydrolase domain-like	LigPlot
8IC7	Download	Experimental	e8ic7B1 e8ic7B2 e8ic7A1 e8ic7A2	Glycosyl hydrolase domain-like Repetitive alpha hairpins Glycosyl hydrolase domain-like Repetitive alpha hairpins	LigPlot