BioLiP

PDB

BioLiP

PDB CCD ID:

A1I2L

Number of entries in BioLiP:

Chemical formula:

C5 H11 N O3 S

InChI:

InChI=1S/C5H11NO3S/c1-10(7,8)6-2-4-9-5-3-6/h2-5H2,1H3

InChIKey:

GVZKQMUSVBGSIZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CS(=O)(=O)N1CCOCC1
CACTVS 3.385	C[S](=O)(=O)N1CCOCC1

Name:

4-methylsulfonylmorpholine

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).