Ligand name: N-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-(methylcarbamoyl)azetidin-1-yl]-6-[5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-4-carboxamide
PDB ligand accession: 9EJ
DrugBank: n/a
PubChem: 134539929
ChEMBL: n/a
InChI Key: BKSPZDICBZFRLV-MBSDFSHPSA-N
SMILES: CCN(CC)C(C)CNC(=O)c1cc(nc(c1)N2CCC2C(=O)NC)c3cnn4c3nc(cc4)c5cccs5
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyridines and derivatives
      • Subclass: Pyrazolylpyridines

List of PDB structures and/or AlphaFold models with target protein Q13557

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5VLO	Download	Experimental	e5vloA1 e5vloB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot