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BioLiP

PDB CCD ID: TNO
Number of entries in BioLiP: 1
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:
SoftwareSMILES
CACTVS 3.385COc1cc(ccc1O)/C=C/2SC(=O)NC/2=O
OpenEye OEToolkits 2.0.7COc1cc(ccc1O)C=C2C(=O)NC(=O)S2
OpenEye OEToolkits 2.0.7COc1cc(ccc1O)/C=C\2/C(=O)NC(=O)S2
CACTVS 3.385COc1cc(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, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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