Ligand name: 4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium
PDB ligand accession: M05
DrugBank: DB08150
PubChem: 42627562
ChEMBL: n/a
InChI Key: RZIDZIGAXXNODG-UHFFFAOYSA-O
SMILES: c1cc(ccc1CC2(CCN(CC2)c3c4cc[nH]c4ncn3)[NH3+])Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Piperidines
      • Subclass: Benzylpiperidines

List of PDB structures and/or AlphaFold models with target protein P00517

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2VO7	Download	Experimental	e2vo7A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
2VO6	Download	Experimental	e2vo6A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot