Ligand name: N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-[2-propyl-4-(1H-pyrazol-4-yl)thiophen-3-yl]-L-alanine
PDB ligand accession: 1BE
DrugBank: n/a
PubChem: 70789287;135566788;
ChEMBL: n/a
InChI Key: GZLUSHWHRPZJDJ-FQEVSTJZSA-N
SMILES: CCCc1c(c(cs1)c2c[nH]nc2)CC(C(=O)O)NC3=NC(Cc4c3ccc(c4)Cl)(C)C
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 P56817

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4I1C	Download	Experimental	e4i1cA2 e4i1cA3	cradle loop barrel cradle loop barrel	LigPlot