Ligand name: 2-(4-chloro-1,2-dihydro-1'H-spiro[indole-3,4'-piperidin]-1'-yl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one
PDB ligand accession: 9SU
DrugBank: n/a
PubChem: 138594369
ChEMBL: CHEMBL4441713
InChI Key: VYNMMNYWFMDPRI-UHFFFAOYSA-N
SMILES: c1cc2c(c(c1)Cl)C3(CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4)CN2
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazanaphthalenes
      • Subclass: Benzodiazines

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
6A84	Download	Experimental	e6a84A1 e6a84B1	ADP-ribosylation ADP-ribosylation	LigPlot