Ligand name: (S)-7-((R)-sec-butoxy)-1-(4-chlorophenyl)-6-methoxy-2-(4-(methyl(pyridin-4-ylmethyl)amino)phenyl)-1,2-dihydroisoquinolin-3(4H)-one
PDB ligand accession: 4TH
DrugBank: n/a
PubChem: 58437867
ChEMBL: CHEMBL3601317
InChI Key: RNOXGLRIZIHGIA-NBLPZQPVSA-N
SMILES: CCC(C)Oc1cc2c(cc1OC)CC(=O)N(C2c3ccc(cc3)Cl)c4ccc(cc4)N(C)Cc5ccncc5
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
4ZYI	Download	Experimental	e4zyiA1	SWIB/MDM2 domain	LigPlot