BioLiP

PDB

BioLiP

PDB CCD ID:

RZS

Number of entries in BioLiP:

Chemical formula:

C8 H9 N3

InChI:

InChI=1S/C8H9N3/c1-2-10-8-4-3-7(5-9)6-11-8/h3-4,6H,2H2,1H3,(H,10,11)

InChIKey:

MVJDUNKELBBNKM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.6	CCNc1ccc(cn1)C#N

Name:

6-(ethylamino)pyridine-3-carbonitrile

ZINC:

ZINC000019483176

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).