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BioLiP Library

PDB CCD ID: 5TI
Number of entries in BioLiP: 3
Chemical formula: C14 H12 N2 O4
InChI: InChI=1S/C14H12N2O4/c1-20-10-7-5-9(6-8-10)3-2-4-11-12(17)15-14(19)16-13(11)18/h2-8H,1H3,(H2,15,16,17,18,19)
InChIKey: IXYLVJHFJKDHRM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccc(\C=C\C=C2C(=O)NC(=O)NC2=O)cc1
CACTVS 3.385COc1ccc(C=CC=C2C(=O)NC(=O)NC2=O)cc1
OpenEye OEToolkits 2.0.7COc1ccc(cc1)C=CC=C2C(=O)NC(=O)NC2=O
Name:5-[3-(4-methoxyphenyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione
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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