Ligand name: (3S)-3-[2-(benzenecarbonyl)-5-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1H-benzotriazol-5-yl)propanoic acid
PDB ligand accession: 08A
DrugBank: n/a
PubChem: 135263899
ChEMBL: CHEMBL4635041
InChI Key: QQOWDADZZIZEDA-VWLOTQADSA-N
SMILES: CCn1c2ccc(c(c2nn1)C)C(CC(=O)O)c3cc(c4c(c3)CN(CC4)C(=O)c5ccccc5)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Isoquinolines and derivatives
      • Subclass: Benzylisoquinolines

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
6TYM	Download	Experimental	e6tymA1	beta-propeller-like	LigPlot