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: inhibitor

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 P49137

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3R2Y	Download	Experimental	e3r2yA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
2JBO	Download	Experimental	e2jboA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
3GOK	Download	Experimental	e3gokA1 e3gokB1 e3gokC1 e3gokD1 e3gokE1 e3gokF1 e3gokG1 e3gokH1 e3gokI1 e3gokJ1 e3gokK1 e3gokL1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
2JBP	Download	Experimental	e2jbpA1 e2jbpB1 e2jbpC1 e2jbpD1 e2jbpE1 e2jbpF1 e2jbpG1 e2jbpH1 e2jbpI1 e2jbpK1 e2jbpL1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot