SEQ2FUN

BioLiP

PDB CCD ID: 3W8
Number of entries in BioLiP: 4
Chemical formula: C8 H11 N O3 S
InChI: InChI=1S/C8H11NO3S/c1-2-12-7-3-5-8(6-4-7)13(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)
InChIKey: ILKGEOVHANZEFC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCOc1ccc(cc1)S(=O)(=O)N
ACDLabs 12.01O=S(=O)(N)c1ccc(OCC)cc1
CACTVS 3.385CCOc1ccc(cc1)[S](N)(=O)=O
Name:4-ethoxybenzenesulfonamide
ChEMBL: CHEMBL3402958
ZINC: ZINC000003885122
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).