Ligand name: 2-[4,6-difluoro-1-(2-hydroxyethyl)-1,2-dihydro-1'H-spiro[indole-3,4'-piperidin]-1'-yl]-5,6,7,8-tetrahydroquinazolin-4(3H)-one
PDB ligand accession: 9H9
DrugBank: n/a
PubChem: 137701512
ChEMBL: CHEMBL4448872
InChI Key: FZQYCOUBRJEYBC-UHFFFAOYSA-N
SMILES: c1c(cc(c2c1N(CC23CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4)CCO)F)F
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
5ZQR	Download	Experimental	e5zqrA1 e5zqrB1	ADP-ribosylation ADP-ribosylation	LigPlot