Ligand name: 3-[4-[[1-[(4-chloranyl-1H-indol-2-yl)methyl]-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]-6-methyl-pyrimidin-2-yl]propanoic acid
PDB ligand accession: J4F
DrugBank: n/a
PubChem: 156026016
ChEMBL: CHEMBL5090659
InChI Key: ILEKCBRCJDWEIR-UHFFFAOYSA-N
SMILES: Cc1cc(nc(n1)CCC(=O)O)Nc2nc3c(n2C)C(=O)N(C(=O)N3C)Cc4cc5c([nH]4)cccc5Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Imidazopyrimidines
      • Subclass: Purines and purine derivatives

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
7EHN	Download	Experimental	e7ehnA1 e7ehnA2 e7ehnB1 e7ehnB2	Flavodoxin-like Rossmann-like Flavodoxin-like Rossmann-like	LigPlot