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BioLiP

PDB CCD ID: PMB
Number of entries in BioLiP: 14
Chemical formula: C6 H5 Hg O3 S
InChI: InChI=1S/C6H5O3S.Hg/c7-10(8,9)6-4-2-1-3-5-6;/h2-5H,(H,7,8,9);
InChIKey: KQAOIKIZSJJTII-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1S(=O)(=O)O)[Hg]
CACTVS 3.341O[S](=O)(=O)c1ccc([Hg])cc1
ACDLabs 10.04[Hg]c1ccc(cc1)S(=O)(=O)O
Name:PARA-MERCURY-BENZENESULFONIC ACID
DrugBank: DB02983
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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