BioLiP

PDB

BioLiP

PDB CCD ID:

WWL

Number of entries in BioLiP:

Chemical formula:

C10 H9 N O4 S3

InChI:

InChI=1S/C10H9NO4S3/c11-18(14,15)10-7-6-9(16-10)17(12,13)8-4-2-1-3-5-8/h1-7H,(H2,11,14,15)

InChIKey:

TZFKMKMXMWYTNS-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[S](=O)(=O)c1sc(cc1)[S](=O)(=O)c2ccccc2
OpenEye OEToolkits 1.7.6	c1ccc(cc1)S(=O)(=O)c2ccc(s2)S(=O)(=O)N
ACDLabs 12.01	O=S(=O)(c1sc(cc1)S(=O)(=O)N)c2ccccc2

Name:

5-(phenylsulfonyl)thiophene-2-sulfonamide

ChEMBL:

CHEMBL177166

ZINC:

ZINC000028021832

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).