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

ClassyFire chemical classification:

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

List of proteins that are targets for H52

#	DrugDomain Data	UniProt Accession	Protein name	Drug Action	Affinity data
1	P25321_H52	P25321	cAMP-dependent protein kinase	n/a
2	P17612_H52	P17612	cAMP-dependent protein kinase	n/a
3	Q6XHB2_H52	Q6XHB2	Probable serine/threonine-protein kinase	n/a
4	P00517_H52	P00517	cAMP-dependent protein kinase	n/a	IC50(nM) = 58.0
5	Q13464_H52	Q13464	Rho-associated protein kinase	inhibitor	Ki(nM) = 6.0 IC50(nM) = 5.0