BioLiP

PDB

BioLiP

PDB CCD ID:

FD8

Number of entries in BioLiP:

Chemical formula:

C20 H9 F8 N O2

InChI:

InChI=1S/C20H9F8NO2/c21-13-14(22)16(24)18(17(25)15(13)23)31-10-5-3-4-9(8-10)29-19(30)11-6-1-2-7-12(11)20(26,27)28/h1-8H,(H,29,30)

InChIKey:

ZTJJBXFGRJEBCQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1ccc(c(c1)C(=O)Nc2cccc(c2)Oc3c(c(c(c(c3F)F)F)F)F)C(F)(F)F
CACTVS 3.352	Fc1c(F)c(F)c(Oc2cccc(NC(=O)c3ccccc3C(F)(F)F)c2)c(F)c1F

Name:

N-[3-(pentafluorophenoxy)phenyl]-2-(trifluoromethyl)benzamide

ZINC:

ZINC000064746569

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).