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BioLiP

PDB CCD ID: T7S
Number of entries in BioLiP: 1
Chemical formula: C13 H22 N2 O2
InChI: InChI=1S/C13H22N2O2/c1-11(16)14-9-5-12(6-10-14)13(17)15-7-3-2-4-8-15/h12H,2-10H2,1H3
InChIKey: VFXWKIZCOQQJGS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N1(CCCCC1)C(C2CCN(CC2)C(C)=O)=O
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC(=O)N1CCC(CC1)C(=O)N2CCCCC2
Name:1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethan-1-one
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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