Ligand name: 4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-5-methyl-N-(oxetan-3-yl)thiophene-2-carboxamide
PDB ligand accession: X3S
DrugBank: n/a
PubChem: 155803725
ChEMBL: CHEMBL4784092
InChI Key: JRCVTCDIBTUNEL-UHFFFAOYSA-N
SMILES: Cc1c(cc(s1)C(=O)NC2COC2)n3cc(cn3)NC(=O)Nc4c(cccc4Cl)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: N-phenylureas

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
7KSI	Download	Experimental	e7ksiA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot