Ligand name: 5-(4-azanylbutyl)-3-pentyl-quinolin-2-amine
PDB ligand accession: M4D
DrugBank: n/a
PubChem: 121231448
ChEMBL: CHEMBL3622853
InChI Key: GHXJTPWIBLPAON-UHFFFAOYSA-N
SMILES: CCCCCc1cc2c(cccc2nc1N)CCCCN
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
5AWC	Download	Experimental	e5awcA2 e5awcB1 e5awcA1 e5awcB2 e5awcC2 e5awcD1 e5awcC1 e5awcD2	Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix	LigPlot