Ligand name: 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID
PDB ligand accession: LYA
DrugBank: DB00642
PubChem: 446556;5288715;135410875;
ChEMBL: CHEMBL225072
InChI Key: WBXPDJSOTKVWSJ-ZDUSSCGKSA-N
SMILES: c1cc(ccc1CCc2c[nH]c3c2C(=O)N=C(N3)N)C(=O)NC(CCC(=O)O)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 Q94C74

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6SMW	Download	Experimental	e6smwA1 e6smwA2 e6smwB1 e6smwB2 e6smwC1 e6smwC2 e6smwD2 e6smwC2 e6smwD1 e6smwD2	PLP-dependent transferases C-terminal domain in some PLP-dependent transferases PLP-dependent transferases C-terminal domain in some PLP-dependent transferases C-terminal domain in some PLP-dependent transferases PLP-dependent transferases PLP-dependent transferases PLP-dependent transferases C-terminal domain in some PLP-dependent transferases PLP-dependent transferases	LigPlot