BioLiP

PDB

BioLiP

PDB CCD ID:

W1I

Number of entries in BioLiP:

Chemical formula:

C8 H11 Br N2 O2 S

InChI:

InChI=1S/C8H11BrN2O2S/c1-11(2)14(12,13)10-8-6-4-3-5-7(8)9/h3-6,10H,1-2H3

InChIKey:

UCJZXZTXNXADJL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN(C)[S](=O)(=O)Nc1ccccc1Br
ACDLabs 12.01	Brc1ccccc1NS(=O)(=O)N(C)C
OpenEye OEToolkits 2.0.7	CN(C)S(=O)(=O)Nc1ccccc1Br

Name:

N'-(2-bromophenyl)-N,N-dimethylsulfuric diamide

ZINC:

ZINC000005718151

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).