Ligand name: N-{3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydropyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7 -yl}methanesulfonamide
PDB ligand accession: 3MS
DrugBank: DB07062
PubChem: n/a
ChEMBL: CHEMBL401974
InChI Key: FTVCONULIKITPZ-UHFFFAOYSA-N
SMILES: CC(C)CCN1C(=O)C(=C(c2n1ccc2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Thiadiazines
      • Subclass: Benzothiadiazines

List of proteins that are targets for 3MS

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	P26663_3MS	P26663	n/a	IC50(nM) = 10.0 EC50(nM) = 8.5