BioLiP

PDB

BioLiP

PDB CCD ID:

HVP

Number of entries in BioLiP:

Chemical formula:

C6 H5 F O5 S2

InChI:

InChI=1S/C6H5FO5S2/c7-13(8,9)5-3-1-2-4-6(5)14(10,11)12/h1-4H,(H,10,11,12)

InChIKey:

AFQCDYWSMCQAJJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[S](=O)(=O)c1ccccc1[S](F)(=O)=O
OpenEye OEToolkits 2.0.6	c1ccc(c(c1)S(=O)(=O)O)S(=O)(=O)F
ACDLabs 12.01	c1(S(F)(=O)=O)c(S(=O)(O)=O)cccc1

Name:

2-(fluorosulfonyl)benzene-1-sulfonic acid

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).