Ligand name: 1-[2,6-bis(chloranyl)phenyl]-6-[[4-(2-hydroxyethyloxy)phenyl]methyl]-3-propan-2-yl-5H-pyrazolo[3,4-d]pyrimidin-4-one
PDB ligand accession: RS5
DrugBank: n/a
PubChem: 135473382
ChEMBL: CHEMBL258721
InChI Key: RSQPNXBTPUXMQN-UHFFFAOYSA-N
SMILES: CC(C)c1c2c(n(n1)c3c(cccc3Cl)Cl)N=C(NC2=O)Cc4ccc(cc4)OCCO
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Azoles
      • Subclass: Pyrazoles

List of PDB structures and/or AlphaFold models with target protein Q16531

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8BU7	Download	Experimental	e8bu7A3 e8bu7B1 e8bu7D2 e8bu7E1 e8bu7G3 e8bu7H1	beta-propeller-like Protein kinase/SAICAR synthase/ATP-grasp beta-propeller-like Protein kinase/SAICAR synthase/ATP-grasp beta-propeller-like Protein kinase/SAICAR synthase/ATP-grasp	LigPlot