SEQ2FUN

BioLiP

PDB CCD ID: KBZ
Number of entries in BioLiP: 2
Chemical formula: C7 H6 N2 O2 S
InChI: InChI=1S/C7H6N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,(H2,9,10,11)
InChIKey: UZECCNDOASGYNH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1C#N)S(=O)(=O)N
CACTVS 3.385N[S](=O)(=O)c1ccc(cc1)C#N
Name:4-cyanobenzenesulfonamide
ChEMBL: CHEMBL178209
ZINC: ZINC000000039566
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).