SEQ2FUN

BioLiP

PDB CCD ID: QB6
Number of entries in BioLiP: 4
Chemical formula: C6 H8 N2 O3 S
InChI: InChI=1S/C6H8N2O3S/c7-5-3-4(12(8,10)11)1-2-6(5)9/h1-3,9H,7H2,(H2,8,10,11)
InChIKey: AVQFHKYAVVQYQO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1cc(c(cc1S(=O)(=O)N)N)O
CACTVS 3.385Nc1cc(ccc1O)[S](N)(=O)=O
Name:3-azanyl-4-oxidanyl-benzenesulfonamide
ChEMBL: CHEMBL4289589
ZINC: ZINC000003896051
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).