BioLiP

PDB

BioLiP

PDB CCD ID:

PMB

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc(ccc1S(=O)(=O)O)[Hg]
CACTVS 3.341	O[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, Lydia 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).