Ligand name: 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide
PDB ligand accession: 1XQ
DrugBank: n/a
PubChem: 71227322;135566852;
ChEMBL: CHEMBL2419698
InChI Key: SUKHPNUTRMBUST-UHFFFAOYSA-N
SMILES: c1cc(sc1)CN(CC2=NC3=C(COCC3)C(=O)N2)C(=O)CN4CCC(CC4)C(=O)c5ccc(cc5)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Carbonyl compounds

List of PDB structures and/or AlphaFold models with target protein O95271

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4LI8	Download	Experimental	e4li8A1 e4li8B1	ADP-ribosylation ADP-ribosylation	LigPlot