BioLiP

PDB

BioLiP

PDB CCD ID:

A1I2N

Number of entries in BioLiP:

Chemical formula:

C10 H11 N3 O

InChI:

InChI=1S/C10H11N3O/c11-8-9-2-1-3-12-10(9)13-4-6-14-7-5-13/h1-3H,4-7H2

InChIKey:

QCXHZQXRAOOEQL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(c(nc1)N2CCOCC2)C#N
CACTVS 3.385	N#Cc1cccnc1N2CCOCC2

Name:

2-morpholin-4-ylpyridine-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).