Ligand name: 1-(3-BROMOPHENYL)-7-CHLORO-6-METHOXY-3,4-DIHYDROISOQUINOLINE
PDB ligand accession: SNB
DrugBank: DB08555
PubChem: 25203945
ChEMBL: CHEMBL1083185
InChI Key: IKGXHBGCVQTQBH-UHFFFAOYSA-N
SMILES: COc1cc2c(cc1Cl)C(=NCC2)c3cccc(c3)Br
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Dihydroisoquinolines
      • Subclass: None

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P53779

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2WAJ	Download	Experimental	e2wajA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot