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BioLiP

PDB CCD ID: NNK
Number of entries in BioLiP: 1
Chemical formula: C7 H11 N2
InChI: InChI=1S/C7H11N2/c1-9-4-2-7(6-8)3-5-9/h2-5H,6,8H2,1H3/q+1
InChIKey: BBCRICAXKQUDPF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370C[n+]1ccc(CN)cc1
ACDLabs 12.01NCc1cc[n+](cc1)C
OpenEye OEToolkits 1.7.0C[n+]1ccc(cc1)CN
Name:4-(aminomethyl)-1-methylpyridinium
ZINC: ZINC000044249405
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)(download the PDF file).
  • 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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