Ligand name: (1S,2R)-2-{[(1S)-1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid
PDB ligand accession: 2FS
DrugBank: n/a
PubChem: 72771096
ChEMBL: CHEMBL4167678
InChI Key: CENUFSLZJTXDBJ-XPWALMASSA-N
SMILES: c1ccc2c(c1)CCN(C2CN3Cc4ccccc4C3=O)C(=O)C5CCCCC5C(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Tetrahydroisoquinolines
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q14145

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4N1B	Download	Experimental	e4n1bA1 e4n1bB1 e4n1bC1	beta-propeller-like beta-propeller-like beta-propeller-like	LigPlot