Ligand name: [3-(aminomethyl)-5-[3-(1,3-dihydroisoindol-2-yl)propoxy]-4-methoxy-phenyl]methanamine
PDB ligand accession: JC5
DrugBank: n/a
PubChem: 138455182
ChEMBL: CHEMBL4552020
InChI Key: XQQZNYFJATXWON-UHFFFAOYSA-N
SMILES: COc1c(cc(cc1OCCCN2Cc3ccccc3C2)CN)CN
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Isoindoles and derivatives
      • Subclass: Isoindoles

List of PDB structures and/or AlphaFold models with target protein Q9Y657

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6QPL	Download	Experimental	e6qplB2 e6qplB3	SH3 SH3	LigPlot