Ligand name: BETA-AMINO ISOBUTYRATE
PDB ligand accession: BIB
DrugBank: DB03432
PubChem: 5460213
ChEMBL: n/a
InChI Key: QCHPKSFMDHPSNR-VKHMYHEASA-M
SMILES: CC(CN)C(=O)[O-]
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 Q96W94

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1R43	Download	Experimental	e1r43A2 e1r43A1 e1r43B1 e1r43B2 e1r43A2 e1r43A1 e1r43B1	Phosphorylase/hydrolase-like Alpha-beta plaits Alpha-beta plaits Phosphorylase/hydrolase-like Phosphorylase/hydrolase-like Alpha-beta plaits Alpha-beta plaits	LigPlot
1R3N	Download	Experimental	e1r3nA2 e1r3nB2 e1r3nA1 e1r3nB1 e1r3nA2 e1r3nA1 e1r3nB1 e1r3nC2 e1r3nC1 e1r3nD1 e1r3nD2 e1r3nC1 e1r3nD1 e1r3nF2 e1r3nE1 e1r3nF1 e1r3nH2 e1r3nG1 e1r3nH1	Phosphorylase/hydrolase-like Phosphorylase/hydrolase-like Alpha-beta plaits Alpha-beta plaits Phosphorylase/hydrolase-like Alpha-beta plaits Alpha-beta plaits Phosphorylase/hydrolase-like Alpha-beta plaits Alpha-beta plaits Phosphorylase/hydrolase-like Alpha-beta plaits Alpha-beta plaits Phosphorylase/hydrolase-like Alpha-beta plaits Alpha-beta plaits Phosphorylase/hydrolase-like Alpha-beta plaits Alpha-beta plaits	LigPlot