BioLiP

PDB

BioLiP

PDB CCD ID:

L5V

Number of entries in BioLiP:

Chemical formula:

C6 H4 Cl N5

InChI:

InChI=1S/C6H4ClN5/c7-5-2-8-1-4(11-5)6-9-3-10-12-6/h1-3H,(H,9,10,12)

InChIKey:

KOARCKONUFDYQJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1c(nc(cn1)Cl)c2nc[nH]n2
ACDLabs 12.01	Clc2nc(c1ncnn1)cnc2
CACTVS 3.385	Clc1cncc(n1)c2n[nH]cn2

Name:

2-chloranyl-6-(1H-1,2,4-triazol-3-yl)pyrazine

ChEMBL:

CHEMBL3099705

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).