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BioLiP Library

PDB CCD ID: AI0
Number of entries in BioLiP: 4
Chemical formula: C17 H14 N2 O2
InChI: InChI=1S/C17H14N2O2/c20-16-8-4-7-14-9-10-15(18-17(14)16)12-19(21)11-13-5-2-1-3-6-13/h1-10,12,20H,11H2/b19-12-
InChIKey: SHXQVJVENHOUOF-UNOMPAQXSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1cccc2ccc(/C=[N+]([O-])/Cc3ccccc3)nc12
OpenEye OEToolkits 2.0.7c1ccc(cc1)C[N+](=Cc2ccc3cccc(c3n2)O)[O-]
CACTVS 3.385Oc1cccc2ccc(C=[N+]([O-])Cc3ccccc3)nc12
OpenEye OEToolkits 2.0.7c1ccc(cc1)C/[N+](=C/c2ccc3cccc(c3n2)O)/[O-]
Name:1-(8-oxidanylquinolin-2-yl)-N-(phenylmethyl)methanimine oxide;
(Z)-N-benzyl-1-(8-hydroxyquinolin-2-yl)methanimine oxide
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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