Ligand name: (1S,2R)-2-{[(1S)-5-methyl-1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid
PDB ligand accession: 1VX
DrugBank: n/a
PubChem: 72771092
ChEMBL: CHEMBL3890847
InChI Key: YTUXAQFRBNUADX-TZRRMPRUSA-N
SMILES: Cc1cccc2c1CCN(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
4L7D	Download	Experimental	e4l7dA1 e4l7dB1 e4l7dC1	beta-propeller-like beta-propeller-like beta-propeller-like	LigPlot