Ligand name: 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE
PDB ligand accession: M77
DrugBank: DB08162
PubChem: 3547
ChEMBL: CHEMBL38380
InChI Key: NGOGFTYYXHNFQH-UHFFFAOYSA-N
SMILES: c1cc2cnccc2c(c1)S(=O)(=O)N3CCCNCC3

ClassyFire chemical classification:

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

List of proteins that are targets for M77

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	O75116_M77	O75116	n/a	Ki(nM) = 330.0 IC50(nM) = 71.0 Kd(nM) = 45.0
2	Q13464_M77	Q13464	inhibitor	Ki(nM) = 100.0 IC50(nM) = 180.0 Kd(nM) = 50.0
3	P00517_M77	P00517	n/a	IC50(nM) = 541.0
4	P25321_M77	P25321	n/a
5	O96013_M77	O96013	n/a
6	P17612_M77	P17612	n/a	IC50(nM) = 853.0
7	Q28021_M77	Q28021	n/a	IC50(nM) = 485.0
8	Q9Y5S2_M77	Q9Y5S2	n/a