Ligand name: N6-BENZYL ADENOSINE-5'-DIPHOSPHATE
PDB ligand accession: NBS
DrugBank: DB01893
PubChem: 446795
ChEMBL: CHEMBL1234640
InChI Key: MRHGMAGSDAQUFH-LSCFUAHRSA-N
SMILES: c1ccc(cc1)CNc2c3c(ncn2)n(cn3)C4C(C(C(O4)COP(=O)(O)OP(=O)(O)O)O)O
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Nucleosides, nucleotides, and analogues
    • Class: Purine nucleotides
      • Subclass: Purine ribonucleotides

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P12931

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1KSW	Download	Experimental	e1kswA3	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot