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BioLiP Library

PDB CCD ID: B4H
Number of entries in BioLiP: 1
Chemical formula: C8 H6 N2 O3
InChI: InChI=1S/C8H6N2O3/c1-9-8(11)6-3-2-4-7(5-6)10(12)13/h2-5H,1H2
InChIKey: JQVXMNLKFSQZAT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=[N+](c1cc(ccc1)C(=O)\N=C)[O-]
OpenEye OEToolkits 1.9.2C=NC(=O)c1cccc(c1)[N+](=O)[O-]
CACTVS 3.385[O-][N+](=O)c1cccc(c1)C(=O)N=C
Name:N-methylidene-3-nitrobenzamide
ZINC: ZINC000584905519
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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