Ligand name: N-(6-{[1-(4-BROMOPHENYL)ISOQUINOLIN-6-YL]OXY}HEXYL)-N-METHYLPROP-2-EN-1-AMINE
PDB ligand accession: W37
DrugBank: n/a
PubChem: 447553
ChEMBL: CHEMBL65024
InChI Key: PPLTVWUUFGVURW-UHFFFAOYSA-N
SMILES: CN(CCCCCCOc1ccc2c(c1)ccnc2c3ccc(cc3)Br)CC=C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyridines and derivatives
      • Subclass: Phenylpyridines

List of PDB structures and/or AlphaFold models with target protein P33247

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1O6H	Download	Experimental	e1o6hA1 e1o6hA2 e1o6hB1 e1o6hB2 e1o6hC1 e1o6hC2	Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins	LigPlot