BioLiP

PDB

BioLiP

PDB CCD ID:

4HY

Number of entries in BioLiP:

Chemical formula:

C14 H9 I3 O4

InChI:

InChI=1S/C14H9I3O4/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h1-4,6,18H,5H2,(H,19,20)

InChIKey:

UOWZUVNAGUAEQC-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	Ic2cc(Oc1c(I)cc(cc1I)CC(=O)O)ccc2O
CACTVS 3.341	OC(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1
OpenEye OEToolkits 1.5.0	c1cc(c(cc1Oc2c(cc(cc2I)CC(=O)O)I)I)O

Name:

[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID

ChEMBL:

CHEMBL41632

DrugBank:

DB03604

ZINC:

ZINC000004217580

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).