BioLiP

PDB

BioLiP

PDB CCD ID:

A1ABF

Number of entries in BioLiP:

Chemical formula:

C12 H8 N2 O

InChI:

InChI=1S/C12H8N2O/c13-9-10-4-6-11(7-5-10)15-12-3-1-2-8-14-12/h1-8H

InChIKey:

ZVQAOOXNUVKQML-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	N#Cc1ccc(cc1)Oc1ccccn1
OpenEye OEToolkits 2.0.7	c1ccnc(c1)Oc2ccc(cc2)C#N
CACTVS 3.385	N#Cc1ccc(Oc2ccccn2)cc1

Name:

4-[(pyridin-2-yl)oxy]benzonitrile

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).