BioLiP

PDB

BioLiP

PDB CCD ID:

RYV

Number of entries in BioLiP:

Chemical formula:

C9 H12 N2 O3 S

InChI:

InChI=1S/C9H12N2O3S/c1-2-11-9(12)7-3-5-8(6-4-7)15(10,13)14/h3-6H,2H2,1H3,(H,11,12)(H2,10,13,14)

InChIKey:

TVIHIVRFUPNIRD-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	CCNC(=O)c1ccc(cc1)[S](N)(=O)=O
OpenEye OEToolkits 1.7.2	CCNC(=O)c1ccc(cc1)S(=O)(=O)N
ACDLabs 12.01	O=S(=O)(N)c1ccc(C(=O)NCC)cc1

Name:

N-ethyl-4-sulfamoylbenzamide

ChEMBL:

CHEMBL310253

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).