Ligand name: 3-(4-{[(2-chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-{1-[(3S)-pyrrolidin-3-yl]-1H-pyrazol-4-yl}benzamide
PDB ligand accession: 3NL
DrugBank: n/a
PubChem: 86278577
ChEMBL: n/a
InChI Key: IMARJVJNXLXPIX-FQEVSTJZSA-N
SMILES: c1ccc(c(c1)NC(=O)Nc2cnn(c2)c3cccc(c3)C(=O)Nc4cnn(c4)C5CCNC5)Cl
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
4WHZ	Download	Experimental	e4whzA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot