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BioLiP Library

PDB CCD ID: 6BH
Number of entries in BioLiP: 1
Chemical formula: C20 H16 N2 O4
InChI: InChI=1S/C20H16N2O4/c23-20(16-8-4-10-18(12-16)22(24)25)21-17-9-5-11-19(13-17)26-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,21,23)
InChIKey: DCTGPPMQMGEMFR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1ccc(cc1)COc2cccc(c2)NC(=O)c3cccc(c3)[N+](=O)[O-]
CACTVS 3.385[O-][N+](=O)c1cccc(c1)C(=O)Nc2cccc(OCc3ccccc3)c2
ACDLabs 12.01O=[N+]([O-])c1cccc(c1)C(=O)Nc2cccc(c2)OCc3ccccc3
Name:N-[3-(benzyloxy)phenyl]-3-nitrobenzamide
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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