BioLiP

PDB

BioLiP

PDB CCD ID:

KNP

Number of entries in BioLiP:

Chemical formula:

C8 H6 F2 O3

InChI:

InChI=1S/C8H6F2O3/c9-5-2-1-3-6(10)8(5)13-4-7(11)12/h1-3H,4H2,(H,11,12)

InChIKey:

OOTAWLNUYMHJOL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	OC(=O)COc1c(F)cccc1F
ACDLabs 12.01	O=C(O)COc1c(F)cccc1F
OpenEye OEToolkits 1.7.0	c1cc(c(c(c1)F)OCC(=O)O)F

Name:

(2,6-difluorophenoxy)acetic 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).