Ligand name: 2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol
PDB ligand accession: XAV
DrugBank: n/a
PubChem: 2726824;135418940;
ChEMBL: CHEMBL1086580
InChI Key: KLGQSVMIPOVQAX-UHFFFAOYSA-N
SMILES: c1cc(ccc1c2nc3c(c(n2)O)CSCC3)C(F)(F)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyranopyridines
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P09874

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4R5W	Download	Experimental	e4r5wA1 e4r5wA2 e4r5wB1 e4r5wB2	ADP-ribosylation Domain of poly(ADP-ribose) polymerase Domain of poly(ADP-ribose) polymerase ADP-ribosylation	LigPlot