BioLiP

PDB

BioLiP

PDB CCD ID:

Z88

Number of entries in BioLiP:

Chemical formula:

C8 H8 Br N O3 S

InChI:

InChI=1S/C8H8BrNO3S/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)

InChIKey:

GUSSBUVTIMQOBB-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	CC(=O)NS(=O)(=O)c1ccc(cc1)Br
CACTVS 3.352	CC(=O)N[S](=O)(=O)c1ccc(Br)cc1

Name:

N-[(4-bromophenyl)sulfonyl]acetamide

ZINC:

ZINC000000242755

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).