Ligand name: 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE
PDB ligand accession: P4O
DrugBank: DB08358
PubChem: 10389239
ChEMBL: CHEMBL226403
InChI Key: OWFLADWRSCINST-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)cc(cn2)c3cc(ccn3)c4cc5c([nH]4)CCNC5=O
Drug action: n/a

ClassyFire chemical classification:

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

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein Q16644

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3FHR	Download	Experimental	e3fhrA2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
7NRB	Download	Experimental	e7nrbA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot