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

ClassyFire chemical classification:

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

List of proteins that are targets for 4T4

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	Q00987_4T4	Q00987	n/a