BioLiP

PDB

BioLiP

PDB CCD ID:

A1IHP

Number of entries in BioLiP:

Chemical formula:

C8 H7 Cl O3

InChI:

InChI=1S/C8H7ClO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)

InChIKey:

SODPIMGUZLOIPE-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)COc1ccc(Cl)cc1
OpenEye OEToolkits 2.0.7	c1cc(ccc1OCC(=O)O)Cl

Name:

2-(4-chloranylphenoxy)ethanoic acid

ChEMBL:

CHEMBL178018

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).