BioLiP

PDB

BioLiP

PDB CCD ID:

F5B

Number of entries in BioLiP:

Chemical formula:

C6 H F5

InChI:

InChI=1S/C6HF5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H

InChIKey:

WACNXHCZHTVBJM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1c(c(c(c(c1F)F)F)F)F
ACDLabs 10.04 CACTVS 3.341	Fc1cc(F)c(F)c(F)c1F

Name:

1,2,3,4,5-pentafluorobenzene

ZINC:

ZINC000002022409

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).