Ligand name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-({3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}methyl)-1H-1,2,3-triazole-4-carboxamide
PDB ligand accession: B4V
DrugBank: n/a
PubChem: 84973047
ChEMBL: CHEMBL3680720
InChI Key: UWMBHECVAPWYPU-UHFFFAOYSA-N
SMILES: Cc1c(nnn1c2c(non2)N)C(=O)NCc3cccc(c3)C(=O)Nc4nc5c(s4)CN(CC5)C
Drug action: n/a

ClassyFire chemical classification:

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

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
5WNF	Download	Experimental	e5wnfA1 e5wnfB1 e5wnfC1 e5wnfD1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot