Ligand name: 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-{[6-(trifluoromethyl)pyridin-3-yl]methyl}pyridin-2-amine
PDB ligand accession: P31
DrugBank: DB12978
PubChem: 25151352
ChEMBL: CHEMBL3813873
InChI Key: JGWRKYUXBBNENE-UHFFFAOYSA-N
SMILES: c1cc(ncc1Cc2c[nH]c3c2cc(cn3)Cl)NCc4ccc(nc4)C(F)(F)F
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 P07333

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4R7H	Download	Experimental	e4r7hA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot