BioLiP

PDB

BioLiP

PDB CCD ID:

A1I2X

Number of entries in BioLiP:

Chemical formula:

C7 H9 N

InChI:

InChI=1S/C7H9N/c1-6-3-4-8-5-7(6)2/h3-5H,1-2H3

InChIKey:

NURQLCJSMXZBPC-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	Cc1ccncc1C

Name:

3,4-dimethylpyridine

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).