Ligand name: (3R)-3-(1-hydroxy-2-methylpropan-2-yl)-1,3,4,5-tetrahydro-6H-pyrano[4,3-c]isoquinolin-6-one
PDB ligand accession: 0E0
DrugBank: n/a
PubChem: 91826684
ChEMBL: n/a
InChI Key: PZJOZWXZBQXTLD-CQSZACIVSA-N
SMILES: CC(C)(CO)C1CC2=C(CO1)c3ccccc3C(=O)N2
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Isoquinolines and derivatives
      • Subclass: Isoquinolones and derivatives

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
5C5P	Download	Experimental	e5c5pA1 e5c5pC1 e5c5pB1 e5c5pD1	ADP-ribosylation ADP-ribosylation ADP-ribosylation ADP-ribosylation	LigPlot