SEQ2FUN

BioLiP

PDB CCD ID: EVD
Number of entries in BioLiP: 5
Chemical formula: C8 H7 N O3 S
InChI: InChI=1S/C8H7NO3S/c9-13(10,11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H2,9,10,11)
InChIKey: PBECZJTWMSIKFE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370N[S](=O)(=O)c1oc2ccccc2c1
OpenEye OEToolkits 1.7.2c1ccc2c(c1)cc(o2)S(=O)(=O)N
ACDLabs 12.01O=S(=O)(c2oc1ccccc1c2)N
Name:1-benzofuran-2-sulfonamide
ChEMBL: CHEMBL165346
ZINC: ZINC000027858187
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).