Ligand name: 4-AMINO-N-(4-CHLOROBENZYL)-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PIPERIDINE-4-CARBOXAMIDE
PDB ligand accession: X39
DrugBank: n/a
PubChem: 11675388
ChEMBL: CHEMBL598194
InChI Key: XQPFDQVEBGYLHB-UHFFFAOYSA-N
SMILES: c1cc(ccc1CNC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of PDB structures and/or AlphaFold models with target protein P31751

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2X39	Download	Experimental	e2x39A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot