Ligand name: 4-methoxy-N-phenyl-3-({3-[(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamide
PDB ligand accession: AK6
DrugBank: n/a
PubChem: 25243837
ChEMBL: n/a
InChI Key: NNMDRKWRQGOYCR-UHFFFAOYSA-N
SMILES: COc1ccc(cc1NC(=O)CCSCc2cc3cc[nH]c3nc2)C(=O)Nc4ccccc4
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q8C3H8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3DJ6	Download	Experimental	e3dj6A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot