Ligand name: VALINE
PDB ligand accession: VAL
DrugBank: DB00161
PubChem: 6287;6971018;88733505;
ChEMBL: CHEMBL43068
InChI Key: KZSNJWFQEVHDMF-BYPYZUCNSA-N
SMILES: CC(C)C(C(=O)O)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of PDB structures and/or AlphaFold models with target protein V5YM14

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3WON	Download	Experimental	e3wonA1 e3wonA2 e3wonB1 e3wonB2	cradle loop barrel Helical bundle domain in S46 peptidase cradle loop barrel Helical bundle domain in S46 peptidase	LigPlot
3WOL	Download	Experimental	e3wolA1 e3wolA2 e3wolB1 e3wolB2	cradle loop barrel Helical bundle domain in S46 peptidase cradle loop barrel Helical bundle domain in S46 peptidase	LigPlot
3WOM	Download	Experimental	e3womA1 e3womA2 e3womB1 e3womB2	cradle loop barrel Helical bundle domain in S46 peptidase cradle loop barrel Helical bundle domain in S46 peptidase	LigPlot