SEQ2FUN

BioLiP

PDB CCD ID: G8V
Number of entries in BioLiP: 1
Chemical formula: C14 H17 N2
InChI: InChI=1S/C14H17N2/c1-15(2)14-8-10-16(11-9-14)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3/q+1
InChIKey: WFCLXYFMXYSPQT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CN(C)c1cc[n+](cc1)Cc2ccccc2
ACDLabs 12.01N(c1cc[n+](cc1)Cc2ccccc2)(C)C
CACTVS 3.385CN(C)c1cc[n+](Cc2ccccc2)cc1
Name:1-benzyl-4-(dimethylamino)pyridinium
ChEMBL: CHEMBL1197684
ZINC: ZINC000004399822
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).