Ligand name: Alsterpaullone
PDB ligand accession: ATU
DrugBank: DB04014
InChI Key: OLUKILHGKRVDCT-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)-c3c(c4cc(ccc4[nH]3)[N+](=O)[O-])CC(=O)N2
Drug action: inhibitor

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q00535

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
Q00535	Download	Predicted	Q00535_F1_nD1	Protein kinase/SAICAR synthase/ATP-grasp
1H4L		Predicted	e1h4lA1 e1h4lB1
1UNG		Predicted	e1ungB1 e1ungA1
1UNH		Predicted	e1unhB1 e1unhA1
1UNL		Predicted	e1unlB1 e1unlA1
3O0G		Predicted	e3o0gA1 e3o0gB1
4AU8		Predicted	e4au8B1 e4au8A1