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BioLiP

PDB CCD ID: W6G
Number of entries in BioLiP: 1
Chemical formula: C8 H7 N3 O2 S2
InChI: InChI=1S/C8H7N3O2S2/c12-15(13,7-4-2-1-3-5-7)11-8-10-9-6-14-8/h1-6H,(H,10,11)
InChIKey: CQVBWAMMROBBPU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)S(=O)(=O)Nc2nncs2
CACTVS 3.385O=[S](=O)(Nc1scnn1)c2ccccc2
ACDLabs 12.01c1(ccccc1)S(Nc2scnn2)(=O)=O
Name:N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
ZINC: ZINC000000438614
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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