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 B3CET1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5VOL	Download	Experimental	e5volA1 e5volD1 e5volB1 e5volC1 e5volD1 e5volE1 e5volF1 e5volG1 e5volE1 e5volH1	alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases	LigPlot