BioLiP

PDB

BioLiP

PDB CCD ID:

YLW

Number of entries in BioLiP:

Chemical formula:

C6 H2 F2 N2

InChI:

InChI=1S/C6H2F2N2/c7-5-1-4(2-9)6(8)10-3-5/h1,3H

InChIKey:

KILHWBMAVSISMG-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Fc1cnc(F)c(c1)C#N
OpenEye OEToolkits 2.0.7	c1c(cnc(c1C#N)F)F

Name:

2,5-bis(fluoranyl)pyridine-3-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).