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BioLiP

PDB CCD ID: L60
Number of entries in BioLiP: 3
Chemical formula: C4 H8 N2 O
InChI: InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)
InChIKey: NQPJDJVGBDHCAD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C1NCCCN1
OpenEye OEToolkits 2.0.6C1CNC(=O)NC1
Name:1,3-diazinan-2-one
ChEMBL: CHEMBL12593
ZINC: ZINC000001577583
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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