BioLiP

PDB

BioLiP

PDB CCD ID:

XHZ

Number of entries in BioLiP:

Chemical formula:

C13 H8 O2

InChI:

InChI=1S/C13H8O2/c1-2-9-3-5-11-10(7-9)4-6-13(15)12(11)8-14/h1,3-8,15H

InChIKey:

ZGPOBGPUMFLBIQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	C#Cc1cc2ccc(O)c(C=O)c2cc1
OpenEye OEToolkits 2.0.7	C#Cc1ccc2c(c1)ccc(c2C=O)O
CACTVS 3.385	Oc1ccc2cc(ccc2c1C=O)C#C

Name:

6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde

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).