BioLiP

PDB

BioLiP

PDB CCD ID:

A1I3M

Number of entries in BioLiP:

Chemical formula:

C5 H11 N O2 S

InChI:

InChI=1S/C5H11NO2S/c1-6-4-2-3-5-9(6,7)8/h2-5H2,1H3

InChIKey:

ANVUCPZCQYCSTF-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN1CCCC[S]1(=O)=O
OpenEye OEToolkits 2.0.7	CN1CCCCS1(=O)=O

Name:

2-methyl-1,2-thiazinane 1,1-dioxide

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).