SEQ2FUN

BioLiP

PDB CCD ID: VVG
Number of entries in BioLiP: 7
Chemical formula: C8 H10 F N O2 S
InChI: InChI=1S/C8H10FNO2S/c1-2-13(11,12)10-8-6-4-3-5-7(8)9/h3-6,10H,2H2,1H3
InChIKey: MRTGYFRQZQCITC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC[S](=O)(=O)Nc1ccccc1F
OpenEye OEToolkits 2.0.7CCS(=O)(=O)Nc1ccccc1F
ACDLabs 12.01N(c1ccccc1F)S(CC)(=O)=O
Name:N-(2-fluorophenyl)ethanesulfonamide
ChEMBL: CHEMBL4539250
ZINC: ZINC000006048796
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).