BioLiP

PDB

BioLiP

PDB CCD ID:

A1AX4

Number of entries in BioLiP:

Chemical formula:

C11 H13 N3

InChI:

InChI=1S/C11H13N3/c12-9-10-4-5-13-11(8-10)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2

InChIKey:

RCMZEWFYJLACAL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cnc(cc1C#N)N2CCCCC2
CACTVS 3.385	N#Cc1ccnc(c1)N2CCCCC2
ACDLabs 12.01	N#Cc1cc(ncc1)N1CCCCC1

Name:

2-(piperidin-1-yl)pyridine-4-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).