BioLiP

PDB

BioLiP

PDB CCD ID:

A1AK8

Number of entries in BioLiP:

Chemical formula:

C12 H11 N O4 S2

InChI:

InChI=1S/C12H11NO4S2/c14-18(15)11-7-4-8-12(9-11)19(16,17)13-10-5-2-1-3-6-10/h1-9,13,18H

InChIKey:

ZVZXMHZBQNOFLG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)NS(=O)(=O)c2cccc(c2)S(=O)=O
CACTVS 3.385	O=[SH](=O)c1cccc(c1)[S](=O)(=O)Nc2ccccc2
ACDLabs 12.01	O=S(=O)(Nc1ccccc1)c1cccc(c1)S(=O)=O

Name:

3-(dioxo-lambda~6~-sulfanyl)-N-phenylbenzene-1-sulfonamide

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).