Ligand name: 4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide
PDB ligand accession: 1XJ
DrugBank: DB12340
PubChem: 24978538
ChEMBL: CHEMBL443684
InChI Key: JLYAXFNOILIKPP-KXQOOQHDSA-N
SMILES: CC1(CCC(=C(C1)CN2CCN(CC2)c3ccc(cc3)C(=O)NS(=O)(=O)c4ccc(c(c4)S(=O)(=O)C(F)(F)F)NC(CCN5CCOCC5)CSc6ccccc6)c7ccc(cc7)Cl)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazinanes
      • Subclass: Piperazines

List of PDB structures and/or AlphaFold models with target protein P53563

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4QNQ	Download	Experimental	e4qnqA1 e4qnqB1 e4qnqC1 e4qnqG1 e4qnqD1 e4qnqJ1 e4qnqE1 e4qnqA1 e4qnqF1 e4qnqE1 e4qnqG1 e4qnqI1 e4qnqH1 e4qnqJ1 e4qnqI1 e4qnqJ1 e4qnqK1 e4qnqK1 e4qnqB1 e4qnqC1 e4qnqH1 e4qnqL1	Toxins' membrane translocation domains Toxins' membrane translocation domains Toxins' membrane translocation domains Toxins' membrane translocation domains Toxins' membrane translocation domains Toxins' membrane translocation domains Toxins' membrane translocation domains Toxins' membrane translocation domains Toxins' membrane translocation domains Toxins' membrane translocation domains Toxins' membrane translocation domains Toxins' membrane translocation domains Toxins' membrane translocation domains Toxins' membrane translocation domains Toxins' membrane translocation domains Toxins' membrane translocation domains Toxins' membrane translocation domains Toxins' membrane translocation domains Toxins' membrane translocation domains Toxins' membrane translocation domains Toxins' membrane translocation domains Toxins' membrane translocation domains	LigPlot