BioLiP

PDB

BioLiP

PDB CCD ID:

Y8D

Number of entries in BioLiP:

Chemical formula:

C6 H4 F I

InChI:

InChI=1S/C6H4FI/c7-5-1-3-6(8)4-2-5/h1-4H

InChIKey:

KGNQDBQYEBMPFZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Fc1ccc(I)cc1
OpenEye OEToolkits 2.0.7	c1cc(ccc1F)I

Name:

1-fluoranyl-4-iodanyl-benzene

ZINC:

ZINC000000407030

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).