BioLiP

PDB

BioLiP

PDB CCD ID:

A1II4

Number of entries in BioLiP:

Chemical formula:

C6 H4 Cl N3

InChI:

InChI=1S/C6H4ClN3/c1-4-6(7)9-3-5(2-8)10-4/h3H,1H3

InChIKey:

ADCSDJITDCCGAR-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1nc(cnc1Cl)C#N
OpenEye OEToolkits 2.0.7	Cc1c(ncc(n1)C#N)Cl

Name:

5-chloranyl-6-methyl-pyrazine-2-carbonitrile

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).