BioLiP

PDB

BioLiP

PDB CCD ID:

A1EHO

Number of entries in BioLiP:

Chemical formula:

C7 H5 F2 N O

InChI:

InChI=1S/C7H5F2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)

InChIKey:

AVRQBXVUUXHRMY-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC(=O)c1c(F)cccc1F
OpenEye OEToolkits 2.0.7	c1cc(c(c(c1)F)C(=O)N)F

Name:

2,6-bis(fluoranyl)benzamide

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).