BioLiP

PDB

BioLiP

PDB CCD ID:

N2Z

Number of entries in BioLiP:

Chemical formula:

C8 H6 Cl N3

InChI:

InChI=1S/C8H6ClN3/c9-7-4-2-1-3-6(7)8-10-5-11-12-8/h1-5H,(H,10,11,12)

InChIKey:

HUJUBANPLITKPV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Clc1ccccc1c2[nH]cnn2
OpenEye OEToolkits 2.0.7	c1ccc(c(c1)c2[nH]cnn2)Cl

Name:

3-(2-chlorophenyl)-4~{H}-1,2,4-triazole

ZINC:

ZINC000004218608

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).