BioLiP

PDB

BioLiP

PDB CCD ID:

03T

Number of entries in BioLiP:

Chemical formula:

C8 H7 N O2 S2

InChI:

InChI=1S/C8H7NO2S2/c9-13(10,11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H2,9,10,11)

InChIKey:

UZMQSZBTFGHLAH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	c1ccc2c(c1)cc(s2)S(=O)(=O)N
ACDLabs 12.01	O=S(=O)(c2sc1ccccc1c2)N
CACTVS 3.370	N[S](=O)(=O)c1sc2ccccc2c1

Name:

1-benzothiophene-2-sulfonamide

ChEMBL:

CHEMBL313338

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).