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BioLiP

PDB CCD ID: BEW
Number of entries in BioLiP: 3
Chemical formula: C5 H6 N O S
InChI: InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,7H/p+1
InChIKey: YBBJKCMMCRQZMA-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc[n+](c(c1)S)O
ACDLabs 12.01
CACTVS 3.370		O[n+]1ccccc1S
Name:1-hydroxy-2-sulfanylpyridinium
ZINC: ZINC000103533967
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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