SEQ2FUN

BioLiP

PDB CCD ID: A1CV0
Number of entries in BioLiP: 1
Chemical formula: C11 H19 N O2
InChI: InChI=1S/C11H19NO2/c13-11(10-4-8-14-9-5-10)12-6-2-1-3-7-12/h10H,1-9H2
InChIKey: FTIULBBVEBFNBK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C(C1CCOCC1)N2CCCCC2
OpenEye OEToolkits 3.1.0.0C1CCN(CC1)C(=O)C2CCOCC2
ACDLabs 14.52O=C(N1CCCCC1)C1CCOCC1
Name:(oxan-4-yl)(piperidin-1-yl)methanone
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).