Ligand name: N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2-carboxamide 7,7-dioxide
PDB ligand accession: AXB
DrugBank: n/a
PubChem: 25144971
ChEMBL: CHEMBL460725
InChI Key: QHDIXGPUTSAIJX-UHFFFAOYSA-N
SMILES: c1cc2c(cc1CNC(=O)C3=Nc4c(c5c(s4)CS(=O)(=O)CC5)C(=O)N3)CN(CC2)C6=C(C(=O)C6=O)N
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P22894

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3DPE	Download	Experimental	e3dpeA1	Zincin-like	LigPlot
3DPF	Download	Experimental	e3dpfA1 e3dpfB1	Zincin-like Zincin-like	LigPlot