Ligand name: (3S,4R)-N-(7-chloro-1-oxo-1,4-dihydroisoquinolin-6-yl)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide
PDB ligand accession: 3ND
DrugBank: n/a
PubChem: 49866493
ChEMBL: n/a
InChI Key: WWMMSIAGRVSGLG-JKSUJKDBSA-N
SMILES: c1cc(ccc1C2CNCC2C(=O)Nc3cc4c(cc3Cl)C(=O)N=CC4)Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrrolidines
      • Subclass: Phenylpyrrolidines

List of PDB structures and/or AlphaFold models with target protein Q13464

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3NDM	Download	Experimental	e3ndmB1 e3ndmC1 e3ndmD1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot