BioLiP

PDB

BioLiP

PDB CCD ID:

A1JK5

Number of entries in BioLiP:

Chemical formula:

C16 H31 N3

InChI:

InChI=1S/C16H31N3/c1-3-5-6-7-8-9-10-11-12-13-14-16-15-19(4-2)18-17-16/h15H,3-14H2,1-2H3

InChIKey:

MQZBROJSZMBQFO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCCCCCCCCCCc1cn(nn1)CC
CACTVS 3.385	CCCCCCCCCCCCc1cn(CC)nn1

Name:

4-dodecyl-1-ethyl-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).