SEQ2FUN

BioLiP

PDB CCD ID: IEJ
Number of entries in BioLiP: 7
Chemical formula: C7 H9 N O2 S
InChI: InChI=1S/C7H9NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
InChIKey: YCMLQMDWSXFTIF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1ccccc1S(=O)(=O)N
CACTVS 3.385Cc1ccccc1[S](N)(=O)=O
ACDLabs 12.01O=S(=O)(N)c1ccccc1C
Name:O-TOLUENESULFONAMIDE
ChEMBL: CHEMBL176892
ZINC: ZINC000002567980
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).