BioLiP

PDB

BioLiP

PDB CCD ID:

A1IIO

Number of entries in BioLiP:

Chemical formula:

C5 H2 Cl N3

InChI:

InChI=1S/C5H2ClN3/c6-5-3-8-4(1-7)2-9-5/h2-3H

InChIKey:

GTYRFWMSDBGPTI-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Clc1cnc(cn1)C#N
OpenEye OEToolkits 2.0.7	c1c(ncc(n1)Cl)C#N

Name:

5-chloranylpyrazine-2-carbonitrile;
2-chloro-5-cyanopyrazine

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).