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BioLiP

PDB CCD ID: 5TS
Number of entries in BioLiP: 0
Chemical formula: C7 H5 N O4 S2
InChI: InChI=1S/C7H5NO4S2/c9-14(10,11)7-2-1-6(13-7)5-3-4-8-12-5/h1-4H,(H,9,10,11)
InChIKey: YJKUMLQWMFTFKD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370O[S](=O)(=O)c1sc(cc1)c2oncc2
OpenEye OEToolkits 1.7.2c1cc(sc1c2ccno2)S(=O)(=O)O
ACDLabs 12.01O=S(=O)(O)c2sc(c1oncc1)cc2
Name:5-(1,2-oxazol-5-yl)thiophene-2-sulfonic acid
ZINC: ZINC000098208527
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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