BioLiP

PDB

BioLiP

PDB CCD ID:

TNO

Number of entries in BioLiP:

Chemical formula:

C11 H9 N O4 S

InChI:

InChI=1S/C11H9NO4S/c1-16-8-4-6(2-3-7(8)13)5-9-10(14)12-11(15)17-9/h2-5,13H,1H3,(H,12,14,15)/b9-5-

InChIKey:

KAICHBSRWFIESE-UITAMQMPSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1cc(ccc1O)/C=C/2SC(=O)NC/2=O
OpenEye OEToolkits 2.0.7	COc1cc(ccc1O)C=C2C(=O)NC(=O)S2
OpenEye OEToolkits 2.0.7	COc1cc(ccc1O)/C=C\2/C(=O)NC(=O)S2
CACTVS 3.385	COc1cc(ccc1O)C=C2SC(=O)NC2=O

Name:

(5~{Z})-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-thiazolidine-2,4-dione

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).