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BioLiP

PDB CCD ID: TN0
Number of entries in BioLiP: 1
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:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc(cc1O)C=C2C(=O)NC(=Nc3ccccc3)S2
CACTVS 3.385COc1ccc(cc1O)\C=C\2SC(NC\2=O)=Nc3ccccc3
OpenEye OEToolkits 2.0.7COc1ccc(cc1O)/C=C\2/C(=O)N/C(=N/c3ccccc3)/S2
CACTVS 3.385COc1ccc(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, Peter L 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).
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