SEQ2FUN

BioLiP

PDB CCD ID: 275
Number of entries in BioLiP: 1
Chemical formula: C7 H11 N2
InChI: InChI=1S/C7H11N2/c1-6-3-4-7(8)5-9(6)2/h3-5H,8H2,1-2H3/q+1
InChIKey: FRIAZNRYPWQFFM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1ccc(c[n+]1C)N
ACDLabs 10.04Nc1c[n+](c(cc1)C)C
CACTVS 3.341Cc1ccc(N)c[n+]1C
Name:5-amino-1,2-dimethylpyridinium
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).