SEQ2FUN

BioLiP

PDB CCD ID: COM
Number of entries in BioLiP: 159
Chemical formula: C2 H6 O3 S2
InChI: InChI=1S/C2H6O3S2/c3-7(4,5)2-1-6/h6H,1-2H2,(H,3,4,5)
InChIKey: ZNEWHQLOPFWXOF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O[S](=O)(=O)CCS
OpenEye OEToolkits 1.5.0C(CS(=O)(=O)O)S
ACDLabs 10.04O=S(=O)(O)CCS
Name:1-THIOETHANESULFONIC ACID
ChEMBL: CHEMBL1098319
DrugBank: DB09110
ZINC: ZINC000003831040
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).