BioLiP

PDB

BioLiP

PDB CCD ID:

XFV

Number of entries in BioLiP:

Chemical formula:

C3 H6 O2 S

InChI:

InChI=1S/C3H6O2S/c4-6(5)2-1-3-6/h1-3H2

InChIKey:

FCFMKFHUNDYKEG-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=S1(CCC1)=O
OpenEye OEToolkits 2.0.7	C1CS(=O)(=O)C1
CACTVS 3.385	O=[S]1(=O)CCC1

Name:

1lambda~6~-thietane-1,1-dione

ZINC:

ZINC000001674494

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).