Ligand name: 3-(3-BUTYL-6-METHOXY-2-METHYL-QUINOLIN-4-YL)SULFANYLPROPANENITRILE
PDB ligand accession: 9MT
DrugBank: n/a
PubChem: 1942420
ChEMBL: CHEMBL2079453
InChI Key: UJFIVLIFWNFOIZ-UHFFFAOYSA-N
SMILES: CCCCc1c(nc2ccc(cc2c1SCCC#N)OC)C
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 A5K1A2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4A95	Download	Experimental	e4a95A1 e4a95A2 e4a95B3 e4a95B2 e4a95C3 e4a95C2	Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy	LigPlot