BioLiP

PDB

BioLiP

PDB CCD ID:

Y4L

Number of entries in BioLiP:

Chemical formula:

C8 H11 Cl N2 O2 S

InChI:

InChI=1S/C8H11ClN2O2S/c1-11(2)14(12,13)10-8-5-3-7(9)4-6-8/h3-6,10H,1-2H3

InChIKey:

KDRCAWRLJXSNGE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CN(C)S(=O)(=O)Nc1ccc(cc1)Cl
ACDLabs 12.01	Clc1ccc(NS(=O)(=O)N(C)C)cc1
CACTVS 3.385	CN(C)[S](=O)(=O)Nc1ccc(Cl)cc1

Name:

((4-Chlorophenyl)sulfamoyl))dimethylamine

ZINC:

ZINC000005718118

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).