BioLiP

PDB

BioLiP

PDB CCD ID:

A1CUK

Number of entries in BioLiP:

Chemical formula:

C8 H9 N O3 S

InChI:

InChI=1S/C8H9NO3S/c9-13(10,11)8-2-1-6-4-12-5-7(6)3-8/h1-3H,4-5H2,(H2,9,10,11)

InChIKey:

NCAGOQKFTHTONQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	c1cc2c(cc1S(=O)(=O)N)COC2
CACTVS 3.385	N[S](=O)(=O)c1ccc2COCc2c1
ACDLabs 14.52	NS(=O)(=O)c1ccc2COCc2c1

Name:

1,3-dihydro-2-benzofuran-5-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).