BioLiP

PDB

BioLiP

PDB CCD ID:

286

Number of entries in BioLiP:

Chemical formula:

C8 H10 N

InChI:

InChI=1S/C8H10N/c1-3-8-6-4-5-7-9(8)2/h3-7H,1H2,2H3/q+1

InChIKey:

DTJIKSRARSRPBU-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341 OpenEye OEToolkits 1.5.0	C[n+]1ccccc1C=C
ACDLabs 10.04	C=C\c1[n+](cccc1)C

Name:

2-ethenyl-1-methylpyridinium

ZINC:

ZINC000002558006

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).