SEQ2FUN

BioLiP

PDB CCD ID: NNJ
Number of entries in BioLiP: 0
Chemical formula: C7 H11 N2
InChI: InChI=1S/C7H11N2/c1-9-4-2-3-7(5-8)6-9/h2-4,6H,5,8H2,1H3/q+1
InChIKey: MNWIURYABWVSGR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370C[n+]1cccc(CN)c1
ACDLabs 12.01NCc1ccc[n+](c1)C
OpenEye OEToolkits 1.7.0C[n+]1cccc(c1)CN
Name:3-(aminomethyl)-1-methylpyridinium
ZINC: ZINC000098209238
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).