BioLiP

PDB

BioLiP

PDB CCD ID:

A1IYW

Number of entries in BioLiP:

Chemical formula:

C17 H14 N2 O4 S

InChI:

InChI=1S/C17H14N2O4S/c1-23-14-6-5-10(7-13(14)21)8-15-16(22)19-17(24-15)18-11-3-2-4-12(20)9-11/h2-9,20-21H,1H3,(H,18,19,22)/b15-8-

InChIKey:

RCLXDDAOPBWZNU-NVNXTCNLSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1ccc(cc1O)C=C2C(=O)NC(=Nc3cccc(c3)O)S2
CACTVS 3.385	COc1ccc(cc1O)C=C2SC(NC2=O)=Nc3cccc(O)c3
CACTVS 3.385	COc1ccc(cc1O)\C=C\2SC(NC\2=O)=Nc3cccc(O)c3
OpenEye OEToolkits 2.0.7	COc1ccc(cc1O)/C=C\2/C(=O)N/C(=N/c3cccc(c3)O)/S2

Name:

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