BioLiP

PDB

BioLiP

PDB CCD ID:

JIF

Number of entries in BioLiP:

Chemical formula:

C6 H3 F3 O

InChI:

InChI=1S/C6H3F3O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H

InChIKey:

ZRTWIJKGTUGZJY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1c(cc(c(c1F)F)F)O
CACTVS 3.385	Oc1cc(F)c(F)c(F)c1

Name:

3,4,5-tris(fluoranyl)phenol

ZINC:

ZINC000002584330

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).