SEQ2FUN

BioLiP

PDB CCD ID: BNS
Number of entries in BioLiP: 4
Chemical formula: C6 H6 O3 S
InChI: InChI=1S/C6H6O3S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H,7,8,9)
InChIKey: SRSXLGNVWSONIS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc(cc1)S(=O)(=O)O
CACTVS 3.370O[S](=O)(=O)c1ccccc1
ACDLabs 12.01O=S(=O)(O)c1ccccc1
Name:benzenesulfonic acid
ChEMBL: CHEMBL1422641
ZINC: ZINC000001555312
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).