BioLiP

PDB

BioLiP

PDB CCD ID:

QI8

Number of entries in BioLiP:

Chemical formula:

C7 H3 F4 N O2

InChI:

InChI=1S/C7H3F4NO2/c8-2-1-3(9)6(11)4(5(2)10)7(13)12-14/h1,14H,(H,12,13)

InChIKey:

SOMUBBZQEJMTQV-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c(c(c(c(c1F)F)C(=O)NO)F)F
CACTVS 3.385	ONC(=O)c1c(F)c(F)cc(F)c1F
ACDLabs 12.01	Fc1c(C(=O)NO)c(F)c(F)cc1F

Name:

2,3,5,6-tetrafluoro-N-hydroxybenzamide

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).