BioLiP

PDB

BioLiP

PDB CCD ID:

A1AW0

Number of entries in BioLiP:

Chemical formula:

C5 H7 N O S2

InChI:

InChI=1S/C5H7NOS2/c1-2-6-4(7)3-9-5(6)8/h2-3H2,1H3

InChIKey:

UPCYEFFISUGBRW-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	S=C1SCC(=O)N1CC
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CCN1C(=O)CSC1=S

Name:

3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one

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).