Ligand name: 3-{5-(acetylamino)-3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1H-indol-1-yl}propanoic acid
PDB ligand accession: LNH
DrugBank: n/a
PubChem: 70682214
ChEMBL: CHEMBL2062585
InChI Key: FXZDYVDTIVZZCX-UHFFFAOYSA-N
SMILES: CC(=O)Nc1ccc2c(c1)c(cn2CCC(=O)O)c3cc(n4c(n3)c(cn4)C#N)NC5CC5
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P68400

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3U4U	Download	Experimental	e3u4uA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot