BioLiP

PDB

BioLiP

PDB CCD ID:

A1AJY

Number of entries in BioLiP:

Chemical formula:

C8 H10 N

InChI:

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

InChIKey:

WVZHSQIASVAADH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C[n+]1cccc(c1)C=C
ACDLabs 12.01 CACTVS 3.385	C[n+]1cccc(C=C)c1

Name:

3-ethenyl-1-methyl-pyridine

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).