SEQ2FUN

BioLiP

PDB CCD ID: T5G
Number of entries in BioLiP: 1
Chemical formula: C6 H6 Br N O2 S
InChI: InChI=1S/C6H6BrNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)
InChIKey: STYQHICBPYRHQK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1S(=O)(=O)N)Br
CACTVS 3.385N[S](=O)(=O)c1ccc(Br)cc1
ACDLabs 12.01c1c(ccc(c1)Br)S(N)(=O)=O
Name:4-bromobenzene-1-sulfonamide
ChEMBL: CHEMBL178852
ZINC: ZINC000004369096
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).