BioLiP

PDB

BioLiP

PDB CCD ID:

A1CWZ

Number of entries in BioLiP:

Chemical formula:

C10 H11 N O2 S

InChI:

InChI=1S/C10H11NO2S/c1-13-9-4-2-8(3-5-9)11-7-14-6-10(11)12/h2-5H,6-7H2,1H3

InChIKey:

YYEZZYULWDLVFZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 3.1.0.0	COc1ccc(cc1)N2CSCC2=O
ACDLabs 14.52	COc1ccc(cc1)N1CSCC1=O

Name:

3-(4-methoxyphenyl)-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).