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BioLiP

PDB CCD ID: A1LU9
Number of entries in BioLiP: 12
Chemical formula: C15 H14 N2 O4
InChI: InChI=1S/C15H14N2O4/c1-9(18)13-7-8-14(21-13)15(20)17-12-5-3-11(4-6-12)16-10(2)19/h3-8H,1-2H3,(H,16,19)(H,17,20)
InChIKey: VLEXAUHLNJBZLL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)Nc1ccc(NC(=O)c2oc(cc2)C(C)=O)cc1
OpenEye OEToolkits 2.0.7CC(=O)c1ccc(o1)C(=O)Nc2ccc(cc2)NC(=O)C
Name:N-(4-acetamidophenyl)-5-ethanoyl-furan-2-carboxamide
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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