BioLiP

PDB

BioLiP

PDB CCD ID:

A1JND

Number of entries in BioLiP:

Chemical formula:

C8 H14 N4 O2

InChI:

InChI=1S/C8H14N4O2/c13-8(14)6-9-4-2-1-3-7-5-10-12-11-7/h5,9H,1-4,6H2,(H,13,14)(H,10,11,12)

InChIKey:

YVWDYFSSHOFRFU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c(nn[nH]1)CCCCNCC(=O)O
CACTVS 3.385	OC(=O)CNCCCCc1c[nH]nn1

Name:

2-[4-(1H-1,2,3-triazol-4-yl)butylamino]ethanoic acid

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).