BioLiP

PDB

BioLiP

PDB CCD ID:

5B9

Number of entries in BioLiP:

Chemical formula:

C18 H14 O3

InChI:

InChI=1S/C18H14O3/c19-18(20)16-10-3-4-11-17(16)21-12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11H,12H2,(H,19,20)

InChIKey:

MDMYMMOPBHNQFV-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1ccc2c(c1)cccc2COc3ccccc3C(=O)O
CACTVS 3.385	OC(=O)c1ccccc1OCc2cccc3ccccc23
ACDLabs 12.01	c21ccccc1cccc2COc3ccccc3C(O)=O

Name:

2-(naphthalen-1-ylmethoxy)benzoic acid

ZINC:

ZINC000011948034

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).