Ligand name: 3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE
PDB ligand accession: L12
DrugBank: DB01953
PubChem: 27934
ChEMBL: CHEMBL193156
InChI Key: UUEYCHLWAOBOHG-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)c(c[nH]2)CCc3ccncc3
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Indoles and derivatives
      • Subclass: Indoles

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein Q16539

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1W84	Download	Experimental	e1w84A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot