Ligand name: ISOPROPYL ALCOHOL
PDB ligand accession: IPA
DrugBank: DB02325
PubChem: 3776
ChEMBL: CHEMBL582
InChI Key: KFZMGEQAYNKOFK-UHFFFAOYSA-N
SMILES: CC(C)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 Q9H2K2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4PNQ	Download	Experimental	e4pnqC1	ADP-ribosylation	LigPlot
4TKI	Download	Experimental	e4tkiA1 e4tkiB1 e4tkiC1	ADP-ribosylation ADP-ribosylation ADP-ribosylation	LigPlot
4PML	Download	Experimental	e4pmlB1	ADP-ribosylation	LigPlot