BioLiP

PDB

BioLiP

PDB CCD ID:

PJW

Number of entries in BioLiP:

Chemical formula:

C12 H8 I

InChI:

InChI=1S/C12H9I/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H

InChIKey:

PEWVMQDYYUSPRM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)-c3ccccc3I2
CACTVS 3.385	[I]1c2ccccc2c3ccccc13

Name:

benzo[b][1]benziodole

ChEMBL:

CHEMBL1616388

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).