BioLiP

PDB

BioLiP

PDB CCD ID:

T4A

Number of entries in BioLiP:

Chemical formula:

C14 H8 I4 O4

InChI:

InChI=1S/C14H8I4O4/c15-8-4-7(5-9(16)13(8)21)22-14-10(17)1-6(2-11(14)18)3-12(19)20/h1-2,4-5,21H,3H2,(H,19,20)

InChIKey:

PPJYSSNKSXAVDB-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(=O)O
CACTVS 3.341	OC(=O)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1
ACDLabs 10.04	Ic2cc(Oc1c(I)cc(cc1I)CC(=O)O)cc(I)c2O

Name:

3,3',5,5'-TETRAIODOTHYROACETIC ACID

ChEMBL:

CHEMBL549748

DrugBank:

DB01751

ZINC:

ZINC000008681598

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).