BioLiP

PDB

BioLiP

PDB CCD ID:

A1AYN

Number of entries in BioLiP:

Chemical formula:

C4 H3 Cl2 N O2 S2

InChI:

InChI=1S/C4H3Cl2NO2S2/c5-3-1-2(4(6)10-3)11(7,8)9/h1H,(H2,7,8,9)

InChIKey:

BUQKISCVZMIFEF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c(c(sc1Cl)Cl)S(=O)(=O)N
CACTVS 3.385	N[S](=O)(=O)c1cc(Cl)sc1Cl
ACDLabs 12.01	Clc1cc(c(Cl)s1)S(=O)(N)=O

Name:

2,5-dichlorothiophene-3-sulfonamide

ChEMBL:

CHEMBL455720

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).