BioLiP

PDB

BioLiP

PDB CCD ID:

HGK

Number of entries in BioLiP:

Chemical formula:

C13 H11 N O4

InChI:

InChI=1S/C13H11NO4/c15-12-8-11(5-6-14-12)18-10-3-1-9(2-4-10)7-13(16)17/h1-6H,7-8H2,(H,16,17)

InChIKey:

WRCYZEFOPRPDCR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(ccc1CC(=O)O)OC2=CC=NC(=O)C2
CACTVS 3.385	OC(=O)Cc1ccc(OC2=CC=NC(=O)C2)cc1

Name:

2-[4-[(2-oxidanylidene-3~{H}-pyridin-4-yl)oxy]phenyl]ethanoic 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).