SEQ2FUN

BioLiP

PDB CCD ID: LSA
Number of entries in BioLiP: 15
Chemical formula: C7 H5 N O3 S
InChI: InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
InChIKey: CVHZOJJKTDOEJC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc2c(c1)C(=O)NS2(=O)=O
ACDLabs 10.04O=C2c1ccccc1S(=O)(=O)N2
CACTVS 3.341O=C1N[S](=O)(=O)c2ccccc12
Name:1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE;
SACCHARIN
ChEMBL: CHEMBL310671
DrugBank: DB12418
ZINC: ZINC000002560357
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).