BioLiP

PDB

BioLiP

PDB CCD ID:

VXH

Number of entries in BioLiP:

Chemical formula:

C5 H5 N O3 S

InChI:

InChI=1S/C5H5NO3S/c7-10(8,9)5-2-1-3-6-4-5/h1-4H,(H,7,8,9)

InChIKey:

DVECLMOWYVDJRM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(cnc1)S(=O)(=O)O
CACTVS 3.385	O[S](=O)(=O)c1cccnc1

Name:

pyridine-3-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).