BioLiP

PDB

BioLiP

PDB CCD ID:

QTA

Number of entries in BioLiP:

Chemical formula:

C12 H11 N O4 S2

InChI:

InChI=1S/C12H11NO4S2/c13-19(16,17)12-8-4-7-11(9-12)18(14,15)10-5-2-1-3-6-10/h1-9H,(H2,13,16,17)

InChIKey:

XYMATFXFXPYYNY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)S(=O)(=O)c2cccc(c2)S(=O)(=O)N
CACTVS 3.385	N[S](=O)(=O)c1cccc(c1)[S](=O)(=O)c2ccccc2
ACDLabs 12.01	c1(cc(S(N)(=O)=O)ccc1)S(c2ccccc2)(=O)=O

Name:

3-(phenylsulfonyl)benzene-1-sulfonamide

ZINC:

ZINC000000446046

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).