Ligand name: (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE
PDB ligand accession: H52
DrugBank: DB07876
PubChem: 448043
ChEMBL: CHEMBL406821
InChI Key: AWDORCFLUJZUQS-ZDUSSCGKSA-N
SMILES: Cc1cncc2c1c(ccc2)S(=O)(=O)N3CCCNCC3C
Drug action: inhibitor

ClassyFire chemical classification:

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

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein Q13464

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3D9V	Download	Experimental	e3d9vA1 e3d9vB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot