Ligand name: 2-[2,6-bis(chloranyl)phenyl]-1-[(1S,3R)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
PDB ligand accession: G4C
DrugBank: DB19034
PubChem: 86290953
ChEMBL: CHEMBL3421729
InChI Key: XHCSBQBBGNQINS-DOTOQJQBSA-N
SMILES: CC1c2cccc(c2CC(N1C(=O)Cc3c(cccc3Cl)Cl)CO)CCC(C)(C)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 P21728

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7CKZ	Download	Experimental	e7ckzR1	Family A G protein-coupled receptor-like	LigPlot
7LJD	Download	Experimental	e7ljdR1	Family A G protein-coupled receptor-like	LigPlot
7LJC	Download	Experimental	e7ljcR1	Family A G protein-coupled receptor-like	LigPlot
7X2F	Download	Experimental	e7x2fF1	Family A G protein-coupled receptor-like	LigPlot