BioLiP

PDB

BioLiP

PDB CCD ID:

203

Number of entries in BioLiP:

Chemical formula:

C4 H4 N4 O3 S

InChI:

InChI=1S/C4H4N4O3S/c9-4-2-3(6-1-5-2)7-12(10,11)8-4/h1,7H,(H,5,6)(H,8,9)

InChIKey:

BSAXWMSAVVOOHO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	O=C1N[S](=O)(=O)Nc2nc[nH]c12
OpenEye OEToolkits 1.5.0	c1[nH]c2c(n1)NS(=O)(=O)NC2=O
ACDLabs 10.04	O=C2c1c(ncn1)NS(=O)(=O)N2

Name:

1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE

ChEMBL:

CHEMBL484860

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).