BioLiP

PDB

BioLiP

PDB CCD ID:

A1I1W

Number of entries in BioLiP:

Chemical formula:

C15 H9 O3

InChI:

InChI=1S/C15H10O3/c16-14-9-8-12(10-13(14)15(17)18)7-6-11-4-2-1-3-5-11/h1-5,8-10,16H,(H,17,18)/p-1

InChIKey:

KMDHRTJLNUICNY-UHFFFAOYSA-M

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C#Cc2ccc(c(c2)C(=O)[O-])O
CACTVS 3.385	Oc1ccc(cc1C([O-])=O)C#Cc2ccccc2

Name:

2-hydroxy-5-(phenylethynyl)benzoic acid

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).