Ligand name: 3-chloro-5-({6-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-3-(dimethylamino)-2-oxo-1,2-dihydropyridin-4-yl}oxy)benzonitrile
PDB ligand accession: 3OB
DrugBank: n/a
PubChem: 44483200
ChEMBL: CHEMBL1230172
InChI Key: CLCCLHPVIUSCJF-UHFFFAOYSA-N
SMILES: CN(C)C1=C(C=C(NC1=O)CC(=O)N2CCc3ccccc3C2)Oc4cc(cc(c4)Cl)C#N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Ethers

List of PDB structures and/or AlphaFold models with target protein P04585

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3FFI	Download	Experimental	e3ffiA5 e3ffiA8	Ribonuclease H-like Alpha-beta plaits	LigPlot