BioLiP

PDB

BioLiP

PDB CCD ID:

VWE

Number of entries in BioLiP:

Chemical formula:

C7 H5 F O5 S

InChI:

InChI=1S/C7H5FO5S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3H,(H,9,10)(H,11,12,13)

InChIKey:

DAYQUMDMVVFSIW-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)c1cc(ccc1F)[S](O)(=O)=O
OpenEye OEToolkits 2.0.7	c1cc(c(cc1S(=O)(=O)O)C(=O)O)F

Name:

2-fluoranyl-5-sulfo-benzoic 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).