Ligand name: 1-[[4-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine
PDB ligand accession: IDQ
DrugBank: n/a
PubChem: 52945312
ChEMBL: CHEMBL1271706
InChI Key: SDSKFWHQCNBICO-UHFFFAOYSA-N
SMILES: CCCCc1nc2c(n1Cc3ccc(cc3)CN)c4ccccc4nc2N
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein B3Y653

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5ZSA	Download	Experimental	e5zsaB2 e5zsaA1 e5zsaB1 e5zsaA2	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
5ZSC	Download	Experimental	e5zscB2 e5zscA1 e5zscB1 e5zscA2	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
5ZSE	Download	Experimental	e5zseB2 e5zseA2 e5zseB1 e5zseA1	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
5ZSD	Download	Experimental	e5zsdB1 e5zsdA1 e5zsdB2 e5zsdA2	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
5ZSB	Download	Experimental	e5zsbB1 e5zsbA2 e5zsbB2 e5zsbA1	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