Ligand name: ~{N}-[[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]methyl]-9-(1-methylpyrazol-4-yl)-2-morpholin-4-yl-purin-6-amine
PDB ligand accession: RMF
DrugBank: n/a
PubChem: 139600338
ChEMBL: CHEMBL4877117
InChI Key: FSELUFUYNUNZKD-UHFFFAOYSA-N
SMILES: Cn1cc(cn1)n2cnc3c2nc(nc3NCc4[nH]c5cc(c(cc5n4)Cl)Cl)N6CCOCC6
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q16531

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8BU5	Download	Experimental	e8bu5B1 e8bu5A3 e8bu5D1 e8bu5E1 e8bu5G2 e8bu5H1	Protein kinase/SAICAR synthase/ATP-grasp beta-propeller-like beta-propeller-like Protein kinase/SAICAR synthase/ATP-grasp beta-propeller-like Protein kinase/SAICAR synthase/ATP-grasp	LigPlot