Ligand name: 4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
PDB ligand accession: MHR
DrugBank: DB08182
PubChem: 23727982
ChEMBL: CHEMBL270687
InChI Key: ZHMRPXZRUZLCNL-UHFFFAOYSA-N
SMILES: CCCOc1ccnc2c1c(c[nH]2)c3ccnc(n3)N
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrrolopyridines
      • Subclass: None

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P24941

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3BHU	Download	Experimental	e3bhuA1 e3bhuC1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot