Ligand name: methyl 4-{[{(3S)-6-cyano-1-[(1-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroquinolin-3-yl}(pyridin-2-ylsulfonyl)amino]methyl}piperidine-1-carboxylate
PDB ligand accession: PB9
DrugBank: n/a
PubChem: 17758322
ChEMBL: n/a
InChI Key: BRIVIXLMMUIBJY-DEOSSOPVSA-N
SMILES: Cn1cncc1CN2CC(Cc3c2ccc(c3)C#N)N(CC4CCN(CC4)C(=O)OC)S(=O)(=O)c5ccccn5
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q5RKJ4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2R2L	Download	Experimental	e2r2lB1 e2r2lA1	Repetitive alpha hairpins Repetitive alpha hairpins	LigPlot