Ligand name: 2-AMINO-5-(2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXIN-5-YL)-N-[2-(DIMETHYLAMINO)ETHYL]PYRIDINE-3-CARBOXAMIDE
PDB ligand accession: WTJ
DrugBank: n/a
PubChem: 44520785
ChEMBL: CHEMBL598973
InChI Key: XGNFTBBPLXKQQH-UHFFFAOYSA-N
SMILES: CN(C)CCNC(=O)c1cc(cnc1N)c2c3c(cs2)OCCO3
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyridines and derivatives
      • Subclass: Pyridinecarboxylic acids and derivatives

List of PDB structures and/or AlphaFold models with target protein Q9HBS5

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2WTJ	Download	Experimental	e2wtjA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot