SEQ2FUN

BioLiP

PDB CCD ID: 9DE
Number of entries in BioLiP: 1
Chemical formula: C12 H11 Br N2 O4 S2
InChI: InChI=1S/C12H11BrN2O4S2/c13-9-1-5-12(6-2-9)21(18,19)15-10-3-7-11(8-4-10)20(14,16)17/h1-8,15H,(H2,14,16,17)
InChIKey: NLJFWGABSSGIJO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(ccc1NS(=O)(=O)c2ccc(cc2)Br)S(=O)(=O)N
CACTVS 3.385N[S](=O)(=O)c1ccc(N[S](=O)(=O)c2ccc(Br)cc2)cc1
Name:4-[(4-bromophenyl)sulfonylamino]benzenesulfonamide
ChEMBL: CHEMBL1865103
ZINC: ZINC000000869729
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).