BioLiP

PDB

BioLiP

PDB CCD ID:

AHW

Number of entries in BioLiP:

Chemical formula:

C13 H14 O

InChI:

InChI=1S/C13H14O/c1-3-10-4-5-11-6-7-13(14-2)9-12(11)8-10/h4-9H,3H2,1-2H3

InChIKey:

IZQPFGFFOUIMRX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CCc1ccc2ccc(cc2c1)OC
CACTVS 3.385	CCc1ccc2ccc(OC)cc2c1

Name:

2-ethyl-7-methoxy-naphthalene

ZINC:

ZINC000034061011

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).