BioLiP

PDB

BioLiP

PDB CCD ID:

GE9

Number of entries in BioLiP:

Chemical formula:

C7 H4 I3 N O

InChI:

InChI=1S/C7H4I3NO/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H2,11,12)

InChIKey:

OVJSATAEGZSMIJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c(cc(c(c1C(=O)N)I)I)I
CACTVS 3.385	NC(=O)c1cc(I)cc(I)c1I

Name:

2,3,5-tris(iodanyl)benzamide

ZINC:

ZINC000004014507

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).