Ligand name: (3S)-3-(4-{(1S)-1,2-dimethyl-1-[(quinolin-6-ylmethyl)amino]propyl}-1H-1,2,3-triazol-1-yl)heptan-2-one
PDB ligand accession: KB2
DrugBank: n/a
PubChem: 49867189
ChEMBL: n/a
InChI Key: XHOTUPQHXLRCJV-UPVQGACJSA-N
SMILES: CCCCC(C(=O)C)n1cc(nn1)C(C)(C(C)C)NCc2ccc3c(c2)cccn3
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Quinolines and derivatives
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P25779

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3IUT	Download	Experimental	e3iutA1	Cysteine proteinases-like	LigPlot