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BioLiP

PDB CCD ID: SPY
Number of entries in BioLiP: 0
Chemical formula: C5 H5 N O3 S
InChI: InChI=1S/C5H5NO3S/c7-10(8,9)5-1-3-6-4-2-5/h1-4H,(H,7,8,9)
InChIKey: PTWLOSARXIJRRJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370O[S](=O)(=O)c1ccncc1
OpenEye OEToolkits 1.7.0c1cnccc1S(=O)(=O)O
ACDLabs 12.01O=S(=O)(O)c1ccncc1
Name:pyridine-4-sulfonic acid
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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