BioLiP

PDB

BioLiP

PDB CCD ID:

I7A

Number of entries in BioLiP:

Chemical formula:

C6 H6 Cl2 N2 O4 S2

InChI:

InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)

InChIKey:

GJQPMPFPNINLKP-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	Clc1c(cc(cc1Cl)S(=O)(=O)N)S(=O)(=O)N
CACTVS 3.341	N[S](=O)(=O)c1cc(Cl)c(Cl)c(c1)[S](N)(=O)=O
OpenEye OEToolkits 1.5.0	c1c(cc(c(c1S(=O)(=O)N)Cl)Cl)S(=O)(=O)N

Name:

4,5-DICHLOROBENZENE-1,3-DISULFONAMIDE

ChEMBL:

CHEMBL17

DrugBank:

DB01144

ZINC:

ZINC000000896918

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).