BioLiP

PDB

BioLiP

PDB CCD ID:

2IB

Number of entries in BioLiP:

Chemical formula:

C7 H7 I

InChI:

InChI=1S/C7H7I/c1-6-4-2-3-5-7(6)8/h2-5H,1H3

InChIKey:

RINOYHWVBUKAQE-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	Ic1ccccc1C
CACTVS 3.341 OpenEye OEToolkits 1.5.0	Cc1ccccc1I

Name:

2-IODOBENZYL GROUP

ZINC:

ZINC000001672846

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).