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BioLiP

PDB CCD ID: ZGX
Number of entries in BioLiP: 1
Chemical formula: C6 H10 N2 O
InChI: InChI=1S/C6H10N2O/c1-6(9)8-4-2-7-3-5-8/h2,4,7H,3,5H2,1H3
InChIKey: GYAZTMNAHJBEMX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC(=O)N1CCNC=C1
ACDLabs 12.01CC(=O)N1C=CNCC1
Name:1-(3,4-dihydropyrazin-1(2H)-yl)ethan-1-one
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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