SEQ2FUN

BioLiP

PDB CCD ID: A1JBC
Number of entries in BioLiP: 1
Chemical formula: C6 H5 Cl2 N O2 S
InChI: InChI=1S/C6H5Cl2NO2S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H,(H2,9,10,11)
InChIKey: ILLSOONBCBUBOD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c(cc1S(=O)(=O)N)Cl)Cl
CACTVS 3.385N[S](=O)(=O)c1ccc(Cl)c(Cl)c1
Name:3,4-dichlorobenzenesulfonamide;
3,4-bis(chloranyl)benzenesulfonamide
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).