BioLiP

PDB

BioLiP

PDB CCD ID:

VWT

Number of entries in BioLiP:

Chemical formula:

C7 H5 N O3 S

InChI:

InChI=1S/C7H5NO3S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,(H,9,10,11)

InChIKey:

SLBRSTXWIBNAOM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1C#N)S(=O)(=O)O
CACTVS 3.385	O[S](=O)(=O)c1ccc(cc1)C#N

Name:

4-cyanobenzenesulfonic 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).