BioLiP

PDB

BioLiP

PDB CCD ID:

A1EE3

Number of entries in BioLiP:

Chemical formula:

C7 H11 N O2 S

InChI:

InChI=1S/C7H11NO2S/c1-2-3-8-4-6-11(9,10)7-5-8/h1H,3-7H2

InChIKey:

CZBZIZOYSYHBNM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=[S]1(=O)CCN(CC1)CC#C
OpenEye OEToolkits 2.0.7	C#CCN1CCS(=O)(=O)CC1

Name:

4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide;
4-Propargylthiomorpholine 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).