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BioLiP

PDB CCD ID: EVJ
Number of entries in BioLiP: 3
Chemical formula: C4 H5 N O2 S2
InChI: InChI=1S/C4H5NO2S2/c5-9(6,7)4-2-1-3-8-4/h1-3H,(H2,5,6,7)
InChIKey: KTFDYVNEGTXQCV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2c1cc(sc1)S(=O)(=O)N
ACDLabs 12.01O=S(=O)(N)c1sccc1
CACTVS 3.370N[S](=O)(=O)c1sccc1
Name:thiophene-2-sulfonamide
ChEMBL: CHEMBL3265256
ZINC: ZINC000001235183
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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