BioLiP

PDB

BioLiP

PDB CCD ID:

A1IAO

Number of entries in BioLiP:

Chemical formula:

C18 H19 N

InChI:

InChI=1S/C18H19N/c1-19-13-11-15(12-14-19)9-10-17-7-4-6-16-5-2-3-8-18(16)17/h2-8,11-15H,9-10H2,1H3

InChIKey:

JDWXMCVXFNBDPZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN1C=CC(C=C1)CCc2cccc3c2cccc3
CACTVS 3.385	CN1C=CC(CCc2cccc3ccccc23)C=C1

Name:

1-methyl-4-(2-naphthalen-1-ylethyl)-4H-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).