BioLiP

PDB

BioLiP

PDB CCD ID:

F2L

Number of entries in BioLiP:

Chemical formula:

C8 H7 F2 N O

InChI:

InChI=1S/C8H7F2NO/c1-5(12)11-8-6(9)3-2-4-7(8)10/h2-4H,1H3,(H,11,12)

InChIKey:

BAFSDKCDEQVQMT-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)Nc1c(F)cccc1F
OpenEye OEToolkits 2.0.7	CC(=O)Nc1c(cccc1F)F

Name:

~{N}-[2,6-bis(fluoranyl)phenyl]ethanamide

ZINC:

ZINC000000138473

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).