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BioLiP

PDB CCD ID: 1L5
Number of entries in BioLiP: 1
Chemical formula: C9 H9 N O2
InChI: InChI=1S/C9H9NO2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-7H,1H3/b8-7+
InChIKey: KFNFMBKUWFTFAE-BQYQJAHWSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=N(=O)/C=C(/c1ccccc1)C
OpenEye OEToolkits 1.7.6CC(=CN(=O)=O)c1ccccc1
CACTVS 3.370CC(=C[N](=O)=O)c1ccccc1
CACTVS 3.370CC(=C/[N](=O)=O)\c1ccccc1
OpenEye OEToolkits 1.7.6C/C(=C\N(=O)=O)/c1ccccc1
Name:[(1E)-1-nitroprop-1-en-2-yl]benzene
ZINC: ZINC000071260680
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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