BioLiP

PDB

BioLiP

PDB CCD ID:

R4W

Number of entries in BioLiP:

Chemical formula:

C3 H8 O2 S

InChI:

InChI=1S/C3H8O2S/c1-3-6(2,4)5/h3H2,1-2H3

InChIKey:

YBJCDTIWNDBNTM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCS(=O)(=O)C
CACTVS 3.385	CC[S](C)(=O)=O

Name:

1-methylsulfonylethane;
trans-3,4-dihydroxysulfolane;
ethyl methyl sulfone

ZINC:

ZINC000002560633

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).