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BioLiP

PDB CCD ID: NNZ
Number of entries in BioLiP: 0
Chemical formula: C7 H11 N2
InChI: InChI=1S/C7H11N2/c1-9-5-3-2-4-7(9)6-8/h2-5H,6,8H2,1H3/q+1
InChIKey: YORFTLSSGMZBTM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01NCc1[n+](cccc1)C
CACTVS 3.370
OpenEye OEToolkits 1.7.2		C[n+]1ccccc1CN
Name:2-(aminomethyl)-1-methylpyridinium
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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