Ligand name: 2-{[(1S)-2-{[(1R,2S)-2-(1H-tetrazol-5-yl)cyclohexyl]carbonyl}-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione
PDB ligand accession: 1VW
DrugBank: n/a
PubChem: 72771091
ChEMBL: CHEMBL4167472
InChI Key: ADUCXORFAZLUAN-NNMXDRDESA-N
SMILES: c1ccc2c(c1)CCN(C2CN3C(=O)c4ccccc4C3=O)C(=O)C5CCCCC5c6[nH]nnn6
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Isoindoles and derivatives
      • Subclass: Isoindolines

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
4L7C	Download	Experimental	e4l7cA1 e4l7cB1 e4l7cC1	beta-propeller-like beta-propeller-like beta-propeller-like	LigPlot