BioLiP

PDB

BioLiP

PDB CCD ID:

B09

Number of entries in BioLiP:

Chemical formula:

C7 H9 N O3 S

InChI:

InChI=1S/C7H9NO3S/c1-11-8-12(9,10)7-5-3-2-4-6-7/h2-6,8H,1H3

InChIKey:

ARFKGONNPZNFOM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	CONS(=O)(=O)c1ccccc1
CACTVS 3.370	CON[S](=O)(=O)c1ccccc1
ACDLabs 12.01	O=S(=O)(NOC)c1ccccc1

Name:

N-methoxybenzenesulfonamide

ZINC:

ZINC000001704264

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).