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BioLiP

PDB CCD ID: WO7
Number of entries in BioLiP: 1
Chemical formula: C7 H14 N2 O
InChI: InChI=1S/C7H14N2O/c1-7(10)9-5-2-3-8-4-6-9/h8H,2-6H2,1H3
InChIKey: TWJPZMYNUBAUGA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC(=O)N1CCCNCC1
ACDLabs 12.01C1CNCCCN1C(C)=O
Name:1-(1,4-diazepan-1-yl)ethan-1-one
ZINC: ZINC000004521106
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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