Ligand name: {(3S)-1-[5-(cyclohexylcarbamoyl)-6-(propylsulfanyl)pyridin-2-yl]piperidin-3-yl}acetic acid
PDB ligand accession: 14M
DrugBank: DB14875
PubChem: 24946280
ChEMBL: CHEMBL2153191
InChI Key: NCDZABJPWMBMIQ-INIZCTEOSA-N
SMILES: CCCSc1c(ccc(n1)N2CCCC(C2)CC(=O)O)C(=O)NC3CCCCC3
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyridines and derivatives
      • Subclass: Pyridinecarboxylic acids and derivatives

List of PDB structures and/or AlphaFold models with target protein P28845

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4HFR	Download	Experimental	e4hfrB2 e4hfrA1	Rossmann-like Rossmann-like	LigPlot