Ligand name: (S)-1-(4-chlorophenyl)-7-isopropoxy-6-methoxy-2-(4-(methyl(((1r,4S)-4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl)methyl)amino)phenyl)-1,2-dihydroisoquinolin-3(4H)-one
PDB ligand accession: 4T4
DrugBank: n/a
PubChem: n/a
ChEMBL: CHEMBL3601398
InChI Key: CLRSLRWKONPSRQ-IIPSPAQQSA-N
SMILES: CC(C)Oc1cc2c(cc1OC)CC(=O)N(C2c3ccc(cc3)Cl)c4ccc(cc4)N(C)CC5CCC(CC5)N6CCN(C(=O)C6)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Tetrahydroisoquinolines
      • Subclass: 1-phenyltetrahydroisoquinolines

List of PDB structures and/or AlphaFold models with target protein Q00987

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4ZYF	Download	Experimental	e4zyfA1	SWIB/MDM2 domain	LigPlot