BioLiP

PDB

BioLiP

PDB CCD ID:

VWI

Number of entries in BioLiP:

Chemical formula:

C6 H5 N O5 S

InChI:

InChI=1S/C6H5NO5S/c8-7(9)5-1-3-6(4-2-5)13(10,11)12/h1-4H,(H,10,11,12)

InChIKey:

SPXOTSHWBDUUMT-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[S](=O)(=O)c1ccc(cc1)[N](=O)=O
OpenEye OEToolkits 2.0.7	c1cc(ccc1N(=O)=O)S(=O)(=O)O

Name:

4-nitrobenzenesulfonic 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).