BioLiP

PDB

BioLiP

PDB CCD ID:

A1JNX

Number of entries in BioLiP:

Chemical formula:

C6 H10 N4 O2

InChI:

InChI=1S/C6H10N4O2/c11-6(12)4-7-2-1-5-3-8-10-9-5/h3,7H,1-2,4H2,(H,11,12)(H,8,9,10)

InChIKey:

ZMVKYAWXVJZHSA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)CNCCc1c[nH]nn1
OpenEye OEToolkits 2.0.7	c1c(nn[nH]1)CCNCC(=O)O

Name:

2-[2-(1~{H}-1,2,3-triazol-4-yl)ethylamino]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).