BioLiP

PDB

BioLiP

PDB CCD ID:

4G9

Number of entries in BioLiP:

Chemical formula:

C10 H12 Cl2 N2 O3 S

InChI:

InChI=1S/C10H12Cl2N2O3S/c1-14(2)18(16,17)9-5-7(3-4-8(9)12)13-10(15)6-11/h3-5H,6H2,1-2H3,(H,13,15)

InChIKey:

YEHYODCKTNLFQU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	CN(C)S(=O)(=O)c1cc(ccc1Cl)NC(=O)CCl
CACTVS 3.385	CN(C)[S](=O)(=O)c1cc(NC(=O)CCl)ccc1Cl
ACDLabs 12.01	Clc1c(cc(cc1)NC(=O)CCl)S(=O)(N(C)C)=O

Name:

2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide

ChEMBL:

CHEMBL4210652

ZINC:

ZINC000003885310

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).