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BioLiP

PDB CCD ID: JJ7
Number of entries in BioLiP: 5
Chemical formula: C10 H20 N2 O2
InChI: InChI=1S/C10H20N2O2/c1-9(13)12-6-3-10(4-7-12)11-5-8-14-2/h10-11H,3-8H2,1-2H3
InChIKey: RMJGIXARLGOLGM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01CC(N1CCC(CC1)NCCOC)=O
OpenEye OEToolkits 2.0.6CC(=O)N1CCC(CC1)NCCOC
CACTVS 3.385COCCNC1CCN(CC1)C(C)=O
Name:1-{4-[(2-methoxyethyl)amino]piperidin-1-yl}ethan-1-one
ZINC: ZINC000001529114
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).
  • 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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