BioLiP

PDB

BioLiP

PDB CCD ID:

G8H

Number of entries in BioLiP:

Chemical formula:

C17 H14 N2 O

InChI:

InChI=1S/C17H14N2O/c20-17(19-16-7-3-4-10-18-16)12-13-8-9-14-5-1-2-6-15(14)11-13/h1-11H,12H2,(H,18,19,20)

InChIKey:

KXZCFXKLOSDNKK-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=C(Cc1ccc2ccccc2c1)Nc3ccccn3
OpenEye OEToolkits 2.0.6	c1ccc2cc(ccc2c1)CC(=O)Nc3ccccn3

Name:

2-naphthalen-2-yl-~{N}-pyridin-2-yl-ethanamide

ZINC:

ZINC000009321981

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).