BioLiP

PDB

BioLiP

PDB CCD ID:

NNZ

Number of entries in BioLiP:

Chemical formula:

C7 H11 N2

InChI:

InChI=1S/C7H11N2/c1-9-5-3-2-4-7(9)6-8/h2-5H,6,8H2,1H3/q+1

InChIKey:

YORFTLSSGMZBTM-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	NCc1[n+](cccc1)C
CACTVS 3.370 OpenEye OEToolkits 1.7.2	C[n+]1ccccc1CN

Name:

2-(aminomethyl)-1-methylpyridinium

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).