BioLiP

PDB

BioLiP

PDB CCD ID:

QPI

Number of entries in BioLiP:

Chemical formula:

C10 H8 O2

InChI:

InChI=1S/C10H8O2/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h1-6,11-12H

InChIKey:

XOOMNEFVDUTJPP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)cc(cc2O)O
CACTVS 3.385	Oc1cc(O)c2ccccc2c1

Name:

naphthalene-1,3-diol;
1,3-Dihydroxynaphthalene

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).