Ligand name: 1-(2-phenylethyl)-3,4-dihydroisoquinoline
PDB ligand accession: LW7
DrugBank: n/a
PubChem: 53832122
ChEMBL: n/a
InChI Key: GDEYQNLNJXESFX-UHFFFAOYSA-N
SMILES: c1ccc(cc1)CCC2=NCCc3c2cccc3
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein D3Q3R0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6JIT	Download	Experimental	e6jitB2 e6jitC1 e6jitC2	6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like	LigPlot