Ligand name: 2-[3-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-2,5-dihydro-1H-pyrazol-1-yl)phenyl]acetamide
PDB ligand accession: EDD
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: LLLDJNNXZHGRQO-ZXVVBBHZSA-N
SMILES: CC(C)(C)C1=CC(=NC(=O)Nc2cccc(c2Cl)Cl)N(N1)c3cccc(c3)CC(=O)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Azoles
      • Subclass: Pyrazoles

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
3NNW	Download	Experimental	e3nnwA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
3NNX	Download	Experimental	e3nnxA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot