Ligand name: (2S)-2-[[4-[[1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]phenyl]carbonylamino]pentanedioic acid
PDB ligand accession: J4C
DrugBank: n/a
PubChem: 156026015
ChEMBL: CHEMBL5093943
InChI Key: VGQGEPKBLLWTIL-SFHVURJKSA-N
SMILES: Cn1c2c(nc1Nc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)N(C(=O)N(C2=O)Cc4ccc(c(c4)Cl)Cl)C
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 P13995

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7EHM	Download	Experimental	e7ehmA1 e7ehmA2 e7ehmB1 e7ehmB2	Flavodoxin-like Rossmann-like Flavodoxin-like Rossmann-like	LigPlot