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BioLiP

PDB CCD ID: A1BFK
Number of entries in BioLiP: 1
Chemical formula: C9 H16 N4 O
InChI: InChI=1S/C9H16N4O/c1-13(2)9-11-8(14-12-9)7-3-5-10-6-4-7/h7,10H,3-6H2,1-2H3
InChIKey: STXBTTYNIARXAD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0CN(C)c1nc(on1)C2CCNCC2
ACDLabs 14.52CN(C)c1nc(on1)C1CCNCC1
CACTVS 3.385CN(C)c1noc(n1)C2CCNCC2
Name:N,N-dimethyl-5-(piperidin-4-yl)-1,2,4-oxadiazol-3-amine
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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