Ligand name: 3-(12-oxidanylidene-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl)propanoic acid
PDB ligand accession: F4W
DrugBank: n/a
PubChem: 3836940
ChEMBL: CHEMBL4175931
InChI Key: XKPJAYXICQQVTD-UHFFFAOYSA-N
SMILES: C1Cc2c(sc3c2C(=O)NC(=N3)CCC(=O)O)C1
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q9I788

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6GNN	Download	Experimental	e6gnnC1	ADP-ribosylation	LigPlot