BioLiP

PDB

BioLiP

PDB CCD ID:

UDI

Number of entries in BioLiP:

Chemical formula:

C4 H10 S2

InChI:

InChI=1S/C4H10S2/c5-3-1-2-4-6/h5-6H,1-4H2

InChIKey:

SMTOKHQOVJRXLK-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	SCCCCS
OpenEye OEToolkits 2.0.7	C(CCS)CS

Name:

butane-1,4-dithiol;
1,2-dithiane 1-oxide (reacted)

ZINC:

ZINC000003860245

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).