BioLiP

PDB

BioLiP

PDB CCD ID:

F7A

Number of entries in BioLiP:

Chemical formula:

C20 H14 F3 N O2

InChI:

InChI=1S/C20H14F3NO2/c21-20(22,23)18-12-5-4-11-17(18)19(25)24-14-7-6-10-16(13-14)26-15-8-2-1-3-9-15/h1-13H,(H,24,25)

InChIKey:

DPQMGAHMROSIOB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.352	FC(F)(F)c1ccccc1C(=O)Nc2cccc(Oc3ccccc3)c2
OpenEye OEToolkits 1.7.0	c1ccc(cc1)Oc2cccc(c2)NC(=O)c3ccccc3C(F)(F)F

Name:

N-(3-phenoxyphenyl)-2-(trifluoromethyl)benzamide

ZINC:

ZINC000064746614

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).