BioLiP

PDB

BioLiP

PDB CCD ID:

I1J

Number of entries in BioLiP:

Chemical formula:

C3 H6 O S2

InChI:

InChI=1S/C3H6OS2/c4-3(1-5)2-6/h5-6H,1-2H2

InChIKey:

QCBZCEKWIGTIMT-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C(C(=O)CS)S
ACDLabs 12.01 CACTVS 3.385	SCC(=O)CS

Name:

1,3-bis(sulfanyl)propan-2-one

ZINC:

ZINC000005496914

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).