Ligand name: 2-{(1S)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}-4-oxo-1,4-dihydropyrimidine-5-carbonitrile
PDB ligand accession: 1BB
DrugBank: n/a
PubChem: 70789284;135566786;
ChEMBL: CHEMBL2346802
InChI Key: SSQLUPVACAMCTQ-FQEVSTJZSA-N
SMILES: CC1(Cc2cc(ccc2C(=N1)NC(Cc3ccccc3)C4=NC(=O)C(=CN4)C#N)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
4I0Z	Download	Experimental	e4i0zA2 e4i0zA3	cradle loop barrel cradle loop barrel	LigPlot