BioLiP

PDB

BioLiP

PDB CCD ID:

WMO

Number of entries in BioLiP:

Chemical formula:

C10 H14 N2 O4 S

InChI:

InChI=1S/C10H14N2O4S/c1-16-7-6-12-10(13)8-2-4-9(5-3-8)17(11,14)15/h2-5H,6-7H2,1H3,(H,12,13)(H2,11,14,15)

InChIKey:

SZLZBDNEVKHWNT-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COCCNC(=O)c1ccc(cc1)S(=O)(=O)N
CACTVS 3.385	COCCNC(=O)c1ccc(cc1)[S](N)(=O)=O
ACDLabs 12.01	O=S(N)(=O)c1ccc(cc1)C(=O)NCCOC

Name:

N-(2-methoxyethyl)-4-sulfamoylbenzamide

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).