Ligand name: 2-[methyl(phenyl)amino]-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydropyridin-1(2H)-yl]ethan-1-one
PDB ligand accession: 86K
DrugBank: n/a
PubChem: 48418665
ChEMBL: n/a
InChI Key: YVJWZSCNKWKWOS-UHFFFAOYSA-N
SMILES: CN(CC(=O)N1CCC(=CC1)c2c[nH]c3c2cccn3)c4ccccc4
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of PDB structures and/or AlphaFold models with target protein Q13464

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7S26	Download	Experimental	e7s26A1 e7s26B1 e7s26C1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot