BioLiP

PDB

BioLiP

PDB CCD ID:

HLL

Number of entries in BioLiP:

Chemical formula:

C8 H9 N5 O2

InChI:

InChI=1S/C8H9N5O2/c14-8(15)7-9-1-3-12(7)5-6-13-4-2-10-11-13/h1-4H,5-6H2,(H,14,15)

InChIKey:

BICABFBIPKZSEC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cn(c(n1)C(=O)O)CCn2ccnn2
CACTVS 3.385	OC(=O)c1nccn1CCn2ccnn2

Name:

1-[2-(1,2,3-triazol-1-yl)ethyl]imidazole-2-carboxylic acid

ChEMBL:

CHEMBL5186837

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).