Ligand name: 6-azanyl-9-[(3~{R})-1-[(~{E})-but-2-enoyl]pyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one
PDB ligand accession: 7GB
DrugBank: n/a
PubChem: 89455287
ChEMBL: n/a
InChI Key: ZHAZXTKPNSTGRP-OBNPVOHOSA-N
SMILES: CC=CC(=O)N1CCC(C1)N2c3c(c(ncn3)N)N(C2=O)c4ccc(cc4)Oc5ccccc5
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Diphenylethers

List of PDB structures and/or AlphaFold models with target protein Q06187

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5P9M	Download	Experimental	e5p9mA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot