BioLiP

PDB

BioLiP

PDB CCD ID:

WN3

Number of entries in BioLiP:

Chemical formula:

C10 H9 N3 O4 S2

InChI:

InChI=1S/C10H9N3O4S2/c14-18(15)8-3-1-4-9(7-8)19(16,17)13-10-5-2-6-11-12-10/h1-7,18H,(H,12,13)

InChIKey:

RPEIJACUMGJTIN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=[SH](=O)c1cccc(c1)[S](=O)(=O)Nc2cccnn2
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)S(=O)(=O)Nc2cccnn2)S(=O)=O
ACDLabs 12.01	O=S(=O)(Nc1cccnn1)c1cccc(c1)S(=O)=O

Name:

3-[bis(oxidanylidene)-$l^{5}-sulfanyl]-~{N}-pyridazin-3-yl-benzenesulfonamide

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).