Ligand name: 5-[[3-(aminomethyl)phenyl]methyl]-3-pentyl-quinolin-2-amine
PDB ligand accession: M8D
DrugBank: n/a
PubChem: 121231447
ChEMBL: CHEMBL3622844
InChI Key: MJTYFAQITQYOAV-UHFFFAOYSA-N
SMILES: CCCCCc1cc2c(cccc2nc1N)Cc3cccc(c3)CN
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Quinolines and derivatives
      • Subclass: Aminoquinolines and derivatives

List of PDB structures and/or AlphaFold models with target protein Q9NR97

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5AWA	Download	Experimental	e5awaA1	Single-stranded right-handed beta-helix	LigPlot