BioLiP

PDB

BioLiP

PDB CCD ID:

IBF

Number of entries in BioLiP:

Chemical formula:

C6 F5 I

InChI:

InChI=1S/C6F5I/c7-1-2(8)4(10)6(12)5(11)3(1)9

InChIKey:

OPYHNLNYCRZOGY-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	Fc1c(F)c(F)c(F)c(I)c1F
OpenEye OEToolkits 1.5.0	c1(c(c(c(c(c1F)F)I)F)F)F
CACTVS 3.341	Fc1c(F)c(F)c(I)c(F)c1F

Name:

1,2,3,4,5-pentafluoro-6-iodobenzene

ZINC:

ZINC000001845644

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).