BioLiP

PDB

BioLiP

PDB CCD ID:

BJN

Number of entries in BioLiP:

Chemical formula:

C7 H11 N2

InChI:

InChI=1S/C7H10N2/c8-4-3-7-2-1-5-9-6-7/h1-2,5-6H,3-4,8H2/p+1

InChIKey:

NAHHNSMHYCLMON-UHFFFAOYSA-O

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(cnc1)CC[NH3+]
CACTVS 3.385	[NH3+]CCc1cccnc1

Name:

2-pyridin-3-ylethylazanium

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).