BioLiP

PDB

BioLiP

PDB CCD ID:

3DB

Number of entries in BioLiP:

Chemical formula:

C8 H8 N4 O4 S3

InChI:

InChI=1/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)/f/h12H,9H2

InChIKey:

PWDGTQXZLNDOKS-TVNKGWMHCZ

SMILES:

Software	SMILES
CACTVS 3.341	N[S](=O)(=O)c1sc(N[S](=O)(=O)c2ccccc2)nn1
ACDLabs 10.04	O=S(=O)(c1nnc(s1)NS(=O)(=O)c2ccccc2)N
OpenEye OEToolkits 1.5.0	c1ccc(cc1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N

Name:

5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide

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).