Ligand name: cyclical inhibitor OD36
PDB ligand accession: B4E
DrugBank: n/a
PubChem: 135567262
ChEMBL: CHEMBL4531690
InChI Key: KTSDBMVHAKWDRK-UHFFFAOYSA-N
SMILES: c1cn2c3c(cn2)-c4cc(cc(c4)Cl)OCCOCCNc1n3
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrazolopyrimidines
      • Subclass: Pyrazolo[1,5-a]pyrimidines

List of PDB structures and/or AlphaFold models with target protein Q04771

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5OY6	Download	Experimental	e5oy6A1 e5oy6B1 e5oy6C1 e5oy6D1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot