SEQ2FUN

BioLiP

PDB CCD ID: E00
Number of entries in BioLiP: 0
Chemical formula: C10 H16 N
InChI: InChI=1S/C10H16N/c1-11(2,3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3/q+1
InChIKey: YOUGRGFIHBUKRS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385
OpenEye OEToolkits 2.0.7		C[N+](C)(C)Cc1ccccc1
Name:benzyltrimethylammonium
ChEMBL: CHEMBL1616857
ZINC: ZINC000001555236
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).