Ligand name: 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide
PDB ligand accession: 5WE
DrugBank: n/a
PubChem: 137348408
ChEMBL: n/a
InChI Key: HUXVNVAKNWKLJM-IBGZPJMESA-N
SMILES: CN(C)CCCC(=O)N1CCCC1c2nc(c3n2ccnc3N)c4ccc(cc4)C(=O)Nc5nccs5
Drug action: n/a

ClassyFire chemical classification:

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

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
6X3N	Download	Experimental	e6x3nA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
5FBO	Download	Experimental	e5fboA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
6X3O	Download	Experimental	e6x3oA1 e6x3oB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
5FBN	Download	Experimental	e5fbnC1 e5fbnD1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot