BioLiP

PDB

BioLiP

PDB CCD ID:

A1D9G

Number of entries in BioLiP:

Chemical formula:

C12 H12 N2

InChI:

InChI=1S/C12H12N2/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12/h3-8H,1-2H3

InChIKey:

NBPGPQJFYXNFKN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1ccnc(c1)c2cc(ccn2)C
CACTVS 3.385	Cc1ccnc(c1)c2cc(C)ccn2

Name:

4-methyl-2-(4-methylpyridin-2-yl)pyridine

ChEMBL:

CHEMBL101165

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).