BioLiP

PDB

BioLiP

PDB CCD ID:

SGZ

Number of entries in BioLiP:

Chemical formula:

C12 H10 O

InChI:

InChI=1S/C12H10O/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9H,8H2

InChIKey:

CCHAJZURXPPHJU-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=CCc1cccc2ccccc12
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)cccc2CC=O

Name:

2-naphthalen-1-ylethanal

ZINC:

ZINC000039248410

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).