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BioLiP

PDB CCD ID: VE0
Number of entries in BioLiP: 1
Chemical formula: C11 H16 N4 O
InChI: InChI=1S/C11H16N4O/c12-10(14-16)9-5-4-6-13-11(9)15-7-2-1-3-8-15/h4-6,16H,1-3,7-8H2,(H2,12,14)
InChIKey: JZHHKLUPBPYXRR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7[H]/N=C(/c1cccnc1N2CCCCC2)\NO
CACTVS 3.385ONC(=N)c1cccnc1N2CCCCC2
ACDLabs 12.01N=C(NO)c1cccnc1N1CCCCC1
OpenEye OEToolkits 2.0.7c1cc(c(nc1)N2CCCCC2)C(=N)NO
Name:N-hydroxy-2-(piperidin-1-yl)pyridine-3-carboximidamide
ZINC: ZINC000019515571
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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