Ligand name: (R)-3-(Benzylthio)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid
PDB ligand accession: XOY
DrugBank: n/a
PubChem: 155907143
ChEMBL: CHEMBL5085156
InChI Key: OFVMPKFGKDQYKS-KDXMTYKHSA-N
SMILES: Cc1ccc(cc1)CN(C(=O)c2ccc3c(c2)CCN(C3)Cc4ccccc4c5ccc(cc5)Cl)C(=O)NC(CSCc6ccccc6)C(=O)O
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 Q07817

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6UVC	Download	Experimental	e6uvcA1 e6uvcB1	Toxins' membrane translocation domains Toxins' membrane translocation domains	LigPlot