Ligand name: N-(AMINOCARBONYL)-BETA-ALANINE
PDB ligand accession: URP
DrugBank: n/a
PubChem: 111
ChEMBL: CHEMBL20962
InChI Key: JSJWCHRYRHKBBW-UHFFFAOYSA-N
SMILES: C(CNC(=O)N)C(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Organic carbonic acids and derivatives
      • Subclass: Ureas

List of PDB structures and/or AlphaFold models with target protein Q96W94

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2V8H	Download	Experimental	e2v8hA1 e2v8hA2 e2v8hB1 e2v8hA1 e2v8hA2 e2v8hB1 e2v8hB2 e2v8hC1 e2v8hC2 e2v8hD1 e2v8hC1 e2v8hD1 e2v8hD2	Alpha-beta plaits Phosphorylase/hydrolase-like Alpha-beta plaits Alpha-beta plaits Phosphorylase/hydrolase-like Alpha-beta plaits Phosphorylase/hydrolase-like Alpha-beta plaits Phosphorylase/hydrolase-like Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Phosphorylase/hydrolase-like	LigPlot
2V8V	Download	Experimental	e2v8vA1 e2v8vA2 e2v8vB1 e2v8vB2 e2v8vC1 e2v8vC2 e2v8vD1 e2v8vC1 e2v8vD1 e2v8vD2	Alpha-beta plaits Phosphorylase/hydrolase-like Alpha-beta plaits Phosphorylase/hydrolase-like Alpha-beta plaits Phosphorylase/hydrolase-like Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Phosphorylase/hydrolase-like	LigPlot