Ligand name: 3-(4-{[(2-chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide
PDB ligand accession: 3H8
DrugBank: n/a
PubChem: 87057579
ChEMBL: CHEMBL3355165
InChI Key: XMZFQCOWVFCHQO-UHFFFAOYSA-N
SMILES: Cc1cc(ccn1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4Cl
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 P53779

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4W4V	Download	Experimental	e4w4vA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot