Ligand name: N-(3-nitrobenzyl)-6-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-2-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-amine
PDB ligand accession: 0J8
DrugBank: n/a
PubChem: 71449349
ChEMBL: CHEMBL2148143
InChI Key: OIYLUARXJZNDPY-UHFFFAOYSA-N
SMILES: c1cc(cc(c1)[N+](=O)[O-])CNc2c3cc(cnc3nc(n2)C(F)(F)F)c4cnn(c4)C5CCNCC5
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 P08581

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4GG7	Download	Experimental	e4gg7A2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot