Ligand name: (2Z)-4,6-dihydroxy-2-{[1-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methylidene}-1-benzofuran-3(2H)-one
PDB ligand accession: WYE
DrugBank: n/a
PubChem: 44540644
ChEMBL: CHEMBL1094017
InChI Key: RLZIWQDVHJTWEF-NVMNQCDNSA-N
SMILES: Cn1cc(c2c1nccc2N3CCN(CC3)C)C=C4C(=O)c5c(cc(cc5O4)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazinanes
      • Subclass: Piperazines

List of PDB structures and/or AlphaFold models with target protein P48736

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3LJ3	Download	Experimental	e3lj3A3	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot