BioLiP

PDB

BioLiP

PDB CCD ID:

4J3

Number of entries in BioLiP:

Chemical formula:

H4 N2 O3 S

InChI:

InChI=1S/H4N2O3S/c1-5-6(2,3)4/h1H2,(H2,2,3,4)

InChIKey:

BTXCHYCUHBGRMK-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	NOS(=O)(=O)N
CACTVS 3.385	NO[S](N)(=O)=O
ACDLabs 12.01	NS(=O)(ON)=O

Name:

amino(aminooxy)sulfane dioxide;
Hydroxylamine-O-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).