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BioLiP

PDB CCD ID: 03T
Number of entries in BioLiP: 2
Chemical formula: C8 H7 N O2 S2
InChI: InChI=1S/C8H7NO2S2/c9-13(10,11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H2,9,10,11)
InChIKey: UZMQSZBTFGHLAH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2c1ccc2c(c1)cc(s2)S(=O)(=O)N
ACDLabs 12.01O=S(=O)(c2sc1ccccc1c2)N
CACTVS 3.370N[S](=O)(=O)c1sc2ccccc2c1
Name:1-benzothiophene-2-sulfonamide
ChEMBL: CHEMBL313338
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).
  • 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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