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BioLiP Library

PDB CCD ID: 4XE
Number of entries in BioLiP: 1
Chemical formula: C11 H22 N3 O
InChI: InChI=1S/C11H21N3O/c15-11(14-6-2-1-3-7-14)10-13-8-4-12-5-9-13/h12H,1-10H2/p+1
InChIKey: PCHXUJGLAFXWIW-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2C1CCN(CC1)C(=O)CN2CC[NH2+]CC2
ACDLabs 12.01C(=O)(CN1CC[NH2+]CC1)N2CCCCC2
CACTVS 3.385O=C(CN1CC[NH2+]CC1)N2CCCCC2
Name:4-[2-oxo-2-(piperidin-1-yl)ethyl]piperazin-1-ium
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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