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BioLiP Library

PDB CCD ID: WLA
Number of entries in BioLiP: 1
Chemical formula: C10 H20 N2 O
InChI: InChI=1S/C10H20N2O/c1-7-13-8-2-10(1)9-12-5-3-11-4-6-12/h10-11H,1-9H2
InChIKey: XVQLGUIPBIHANF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385		C1CN(CCN1)CC2CCOCC2
OpenEye OEToolkits 2.0.7C1COCCC1CN2CCNCC2
Name:1-[(oxan-4-yl)methyl]piperazine
ZINC: ZINC000052170969
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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