Ligand name: N-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide
PDB ligand accession: 255
DrugBank: DB06933
PubChem: 16750106
ChEMBL: CHEMBL250409
InChI Key: GJTCKUKIFXWJKG-UHFFFAOYSA-N
SMILES: CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(cccc3Nc4ccccn4)nc2
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Quinolines and derivatives
      • Subclass: Phenylquinolines

List of drug binding-associated PTMs

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
2R9S	Download	Experimental	e2r9sA1 e2r9sB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot