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 A0A0E3ZCF3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6Y63	Download	Experimental	e6y63AAA1 e6y63EEE1 e6y63BBB1 e6y63CCC1 e6y63CCC1 e6y63CCC1 e6y63DDD1 e6y63DDD1 e6y63EEE1 e6y63FFF1 e6y63JJJ1 e6y63FFF1 e6y63GGG1 e6y63GGG1 e6y63HHH1 e6y63HHH1 e6y63III1 e6y63III1 e6y63JJJ1	jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll	LigPlot
7B6S	Download	Experimental	e7b6sAAA1 e7b6sEEE1 e7b6sAAA1 e7b6sBBB1 e7b6sCCC1 e7b6sDDD1 e7b6sFFF1 e7b6sGGG1 e7b6sHHH1 e7b6sHHH1 e7b6sIII1 e7b6sIII1 e7b6sJJJ1	jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll	LigPlot
7B6T	Download	Experimental	e7b6tEEE1 e7b6tFFF1 e7b6tGGG1 e7b6tIII1	jelly-roll jelly-roll jelly-roll jelly-roll	LigPlot