Ligand name: 4-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-N-ethylpiperidine-1-carboxamide
PDB ligand accession: J07
DrugBank: DB08005
PubChem: 16129582
ChEMBL: CHEMBL248176
InChI Key: ARMFMDYRYOKSOW-UHFFFAOYSA-N
SMILES: CCNC(=O)N1CCC(CC1)Nc2ncc(c(n2)c3c[nH]c4c3cccc4)Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Indoles and derivatives
      • Subclass: Indoles

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
2P33	Download	Experimental	e2p33A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot