Ligand name: 4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
PDB ligand accession: 0XZ
DrugBank: DB12218
PubChem: 25227436
ChEMBL: CHEMBL2325741
InChI Key: JDUBGYFRJFOXQC-KRWDZBQOSA-N
SMILES: c1cc(ccc1C(CCO)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl
Drug action: inhibitor

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 P31749

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4GV1	Download	Experimental	e4gv1A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot