Ligand name: 3-[2-bromo-4-(1H-pyrazol-4-yl)thiophen-3-yl]-N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-alanine
PDB ligand accession: 1B8
DrugBank: n/a
PubChem: 70789279;135566783;
ChEMBL: n/a
InChI Key: DZVYKFXCGGLAAX-KRWDZBQOSA-N
SMILES: CC1(Cc2cc(ccc2C(=N1)NC(Cc3c(csc3Br)c4c[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
4I0E	Download	Experimental	e4i0eA2 e4i0eA3	cradle loop barrel cradle loop barrel	LigPlot