SEQ2FUN

BioLiP

PDB CCD ID: T2D
Number of entries in BioLiP: 1
Chemical formula: C8 H8 N2 O3 S
InChI: InChI=1S/C8H8N2O3S/c11-8-6-10(14(12,13)9-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,9,11)
InChIKey: LDCZCUKQWRZSDT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O=C1CN(c2ccccc2)[S](=O)(=O)N1
OpenEye OEToolkits 1.5.0c1ccc(cc1)N2CC(=O)NS2(=O)=O
ACDLabs 10.04O=S2(=O)NC(=O)CN2c1ccccc1
Name:1,2,5-THIADIAZOLIDIN-3-ONE-1,1-DIOXIDE
ChEMBL: CHEMBL190801
DrugBank: DB08593
ZINC: ZINC000006475522
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).