Ligand name: 5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[4-(trifluoromethyl)benzyl]pyridin-2-amine
PDB ligand accession: 647
DrugBank: n/a
PubChem: 11545419
ChEMBL: CHEMBL4224714
InChI Key: NODCQQSEMCESEC-UHFFFAOYSA-N
SMILES: c1cc2c(c[nH]c2nc1)Cc3ccc(nc3)NCc4ccc(cc4)C(F)(F)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Benzylamines

List of PDB structures and/or AlphaFold models with target protein P10721

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4HVS	Download	Experimental	e4hvsA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot