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BioLiP

PDB CCD ID: WWL
Number of entries in BioLiP: 1
Chemical formula: C10 H9 N O4 S3
InChI: InChI=1S/C10H9NO4S3/c11-18(14,15)10-7-6-9(16-10)17(12,13)8-4-2-1-3-5-8/h1-7H,(H2,11,14,15)
InChIKey: TZFKMKMXMWYTNS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[S](=O)(=O)c1sc(cc1)[S](=O)(=O)c2ccccc2
OpenEye OEToolkits 1.7.6c1ccc(cc1)S(=O)(=O)c2ccc(s2)S(=O)(=O)N
ACDLabs 12.01O=S(=O)(c1sc(cc1)S(=O)(=O)N)c2ccccc2
Name:5-(phenylsulfonyl)thiophene-2-sulfonamide
ChEMBL: CHEMBL177166
ZINC: ZINC000028021832
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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