Ligand name: 1-[4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine
PDB ligand accession: M04
DrugBank: DB08149
PubChem: 11696113
ChEMBL: CHEMBL260000
InChI Key: KCWPSUKJCKZEAO-UHFFFAOYSA-N
SMILES: c1cc(ccc1CC2(CCN(CC2)c3c4cc[nH]c4ncn3)CN)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
2VO3	Download	Experimental	e2vo3A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot