Ligand name: 5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-isoquinoline
PDB ligand accession: 7KB
DrugBank: n/a
PubChem: 9951687
ChEMBL: n/a
InChI Key: UGJIFGVOVGCXQP-UHFFFAOYSA-N
SMILES: Cc1cncc2c1c(ccc2)S(=O)(=O)N3CCCNCC3
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Isoquinolines and derivatives
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P25321

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5M6Y	Download	Experimental	e5m6yA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
6YQK	Download	Experimental	e6yqkA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot