Ligand name: (2Z)-4-[(3S)-1-benzyl-3-(4-chlorobenzyl)piperidin-3-yl]-2-hydroxy-4-oxobut-2-enoic acid
PDB ligand accession: CI3
DrugBank: n/a
PubChem: 60138153;72200823;
ChEMBL: n/a
InChI Key: KBXVCUKTDOSDRY-BXDIUNCMSA-N
SMILES: c1ccc(cc1)CN2CCCC(C2)(Cc3ccc(cc3)Cl)C(=O)C=C(C(=O)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Piperidines
      • Subclass: Benzylpiperidines

List of PDB structures and/or AlphaFold models with target protein C3W5S0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4AWG	Download	Experimental	e4awgA1 e4awgB1 e4awgC1 e4awgD1	Restriction endonuclease-like Restriction endonuclease-like Restriction endonuclease-like Restriction endonuclease-like	LigPlot