BioLiP

PDB

BioLiP

PDB CCD ID:

TN0

Number of entries in BioLiP:

Chemical formula:

C17 H14 N2 O3 S

InChI:

InChI=1S/C17H14N2O3S/c1-22-14-8-7-11(9-13(14)20)10-15-16(21)19-17(23-15)18-12-5-3-2-4-6-12/h2-10,20H,1H3,(H,18,19,21)/b15-10-

InChIKey:

SQXSMLLCDWJNAC-GDNBJRDFSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1ccc(cc1O)C=C2C(=O)NC(=Nc3ccccc3)S2
CACTVS 3.385	COc1ccc(cc1O)\C=C\2SC(NC\2=O)=Nc3ccccc3
OpenEye OEToolkits 2.0.7	COc1ccc(cc1O)/C=C\2/C(=O)N/C(=N/c3ccccc3)/S2
CACTVS 3.385	COc1ccc(cc1O)C=C2SC(NC2=O)=Nc3ccccc3

Name:

(2~{Z},5~{Z})-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-2-phenylimino-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).