BioLiP

PDB

BioLiP

PDB CCD ID:

4IB

Number of entries in BioLiP:

Chemical formula:

C15 H12 I4 O2

InChI:

InChI=1S/C15H12I4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3

InChIKey:

ISISIYIPOKCZRJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)(c1cc(I)c(O)c(I)c1)c2cc(I)c(O)c(I)c2
OpenEye OEToolkits 2.0.6	CC(C)(c1cc(c(c(c1)I)O)I)c2cc(c(c(c2)I)O)I

Name:

TETRAIODOBISPHENOLA

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).