SEQ2FUN

BioLiP

PDB CCD ID: 4JC
Number of entries in BioLiP: 13
Chemical formula: C8 H11 N O2 S
InChI: InChI=1S/C8H11NO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)
InChIKey: MLTGAVXHWSDGIS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2CCc1ccc(cc1)S(=O)(=O)N
ACDLabs 12.01O=S(N)(=O)c1ccc(cc1)CC
CACTVS 3.385CCc1ccc(cc1)[S](N)(=O)=O
Name:4-ethylbenzenesulfonamide
ChEMBL: CHEMBL358263
ZINC: ZINC000000403990
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).