BioLiP

PDB

BioLiP

PDB CCD ID:

W65

Number of entries in BioLiP:

Chemical formula:

C8 H6 F2 O

InChI:

InChI=1S/C8H6F2O/c9-8(10)7(11)6-4-2-1-3-5-6/h1-5,8H

InChIKey:

OLYKCPDTXVZOQF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C(=O)C(F)F
CACTVS 3.385	FC(F)C(=O)c1ccccc1

Name:

2,2-bis(fluoranyl)-1-phenyl-ethanone

ZINC:

ZINC000001708231

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).