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BioLiP

PDB CCD ID: XJJ
Number of entries in BioLiP: 8
Chemical formula: C4 H8 N2 O
InChI: InChI=1S/C4H8N2O/c7-4-3-5-1-2-6-4/h5H,1-3H2,(H,6,7)
InChIKey: IWELDVXSEVIIGI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C1CNCCN1
ACDLabs 12.01O=C1NCCNC1
OpenEye OEToolkits 2.0.7C1CNC(=O)CN1
Name:piperazin-2-one
ZINC: ZINC000073658704
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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