Ligand name: 3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide
PDB ligand accession: 2FR
DrugBank: DB06963
PubChem: 24941249
ChEMBL: n/a
InChI Key: ZFGCLYUGFRNYFE-INIZCTEOSA-N
SMILES: Cc1c2cnc(cc2n(n1)c3cccc(c3)CCC(=O)N)NC(C)c4ccccc4
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Azoles
      • Subclass: Pyrazoles

List of PDB structures and/or AlphaFold models with target protein Q4KMI8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3DBC	Download	Experimental	e3dbcA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot