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BioLiP

PDB CCD ID: 0OC
Number of entries in BioLiP: 5
Chemical formula: C6 H9 N O2 S2
InChI: InChI=1S/C6H9NO2S2/c1-7(2)11(8,9)6-3-4-10-5-6/h3-5H,1-2H3
InChIKey: ULWLGURUKSRLMX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CN(C)S(=O)(=O)c1ccsc1
CACTVS 3.370CN(C)[S](=O)(=O)c1cscc1
ACDLabs 12.01O=S(=O)(N(C)C)c1ccsc1
Name:N,N-dimethylthiophene-3-sulfonamide
ZINC: ZINC000013466587
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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