Ligand name: (3S)-3-amino-2,2-difluoro-3-phenylpropanoic acid
PDB ligand accession: BQ7
DrugBank: n/a
PubChem: 10799906
ChEMBL: n/a
InChI Key: RNXZEHZGLUONSK-ZETCQYMHSA-N
SMILES: c1ccc(cc1)C(C(C(=O)O)(F)F)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 Q68G84

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4C5R	Download	Experimental	e4c5rC1 e4c5rA1 e4c5rA2 e4c5rB1 e4c5rA2 e4c5rB1 e4c5rB2 e4c5rD1 e4c5rC1 e4c5rC3 e4c5rA2 e4c5rD1 e4c5rC1 e4c5rB1 e4c5rD1 e4c5rD2	L-aspartase middle domain-like L-aspartase N-terminal domain-like L-aspartase middle domain-like L-aspartase middle domain-like L-aspartase middle domain-like L-aspartase middle domain-like L-aspartase N-terminal domain-like L-aspartase middle domain-like L-aspartase middle domain-like L-aspartase N-terminal domain-like L-aspartase middle domain-like L-aspartase middle domain-like L-aspartase middle domain-like L-aspartase middle domain-like L-aspartase middle domain-like L-aspartase N-terminal domain-like	LigPlot
4C5S	Download	Experimental	e4c5sB2 e4c5sA1 e4c5sA2 e4c5sC3 e4c5sD1 e4c5sB2 e4c5sB3 e4c5sA1 e4c5sD1 e4c5sA1 e4c5sC2 e4c5sC3 e4c5sD1 e4c5sD2 e4c5sB2 e4c5sC3	L-aspartase middle domain-like L-aspartase middle domain-like L-aspartase N-terminal domain-like L-aspartase middle domain-like L-aspartase middle domain-like L-aspartase middle domain-like L-aspartase N-terminal domain-like L-aspartase middle domain-like L-aspartase middle domain-like L-aspartase middle domain-like L-aspartase N-terminal domain-like L-aspartase middle domain-like L-aspartase middle domain-like L-aspartase N-terminal domain-like L-aspartase middle domain-like L-aspartase middle domain-like	LigPlot