Ligand name: N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-[4-(1H-pyrazol-4-yl)thiophen-3-yl]-L-alanine
PDB ligand accession: 1BF
DrugBank: n/a
PubChem: 70789280;135566784;
ChEMBL: n/a
InChI Key: ASNJXTHXWLJRAC-SFHVURJKSA-N
SMILES: CC1(Cc2cc(ccc2C(=N1)NC(Cc3cscc3c4c[nH]nc4)C(=O)O)Cl)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
4I0F	Download	Experimental	e4i0fA2 e4i0fA3	cradle loop barrel cradle loop barrel	LigPlot