SEQ2FUN

BioLiP

PDB CCD ID: FB2
Number of entries in BioLiP: 12
Chemical formula: C6 H7 N O2 S
InChI: InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
InChIKey: KHBQMWCZKVMBLN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1c1ccc(cc1)S(=O)(=O)N
CACTVS 3.352N[S](=O)(=O)c1ccccc1
ACDLabs 10.04O=S(=O)(N)c1ccccc1
Name:benzenesulfonamide
ChEMBL: CHEMBL27601
ZINC: ZINC000000330150
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).