SEQ2FUN

BioLiP

PDB CCD ID: A1JK3
Number of entries in BioLiP: 1
Chemical formula: C17 H33 N3
InChI: InChI=1S/C17H33N3/c1-3-5-6-7-8-9-10-11-12-13-14-17-16-20(15-4-2)19-18-17/h16H,3-15H2,1-2H3
InChIKey: QHYYMWDEHNCHNN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCCCCCCCCCc1cn(CCC)nn1
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCc1cn(nn1)CCC
Name:4-dodecyl-1-propyl-1,2,3-triazole
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).