BioLiP

PDB

BioLiP

PDB CCD ID:

A1ISN

Number of entries in BioLiP:

Chemical formula:

C12 H10 O3

InChI:

InChI=1S/C12H10O3/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,13,14)

InChIKey:

RZCJYMOBWVJQGV-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2cc(ccc2c1)OCC(=O)O
CACTVS 3.385	OC(=O)COc1ccc2ccccc2c1

Name:

2-naphthalen-2-yloxyethanoic acid

ChEMBL:

CHEMBL1732186

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).