Ligand name: O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE
PDB ligand accession: 4SP
DrugBank: DB07126
PubChem: 4566
ChEMBL: CHEMBL319467
InChI Key: OWXORKPNCHJYOF-UHFFFAOYSA-N
SMILES: c1cc(ccc1Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)S(=O)(=O)N
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Imidazopyrimidines
      • Subclass: Purines and purine derivatives

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P24941

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2C6O	Download	Experimental	e2c6oA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
4EOR	Download	Experimental	e4eorA1 e4eorC2	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
4EOK	Download	Experimental	e4eokA1 e4eokC1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
2IW8	Download	Experimental	e2iw8A1 e2iw8C1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
1H1S	Download	Experimental	e1h1sA1 e1h1sC1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
2IW9	Download	Experimental	e2iw9A1 e2iw9C1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot