BioLiP

PDB

BioLiP

PDB CCD ID:

TYI

Number of entries in BioLiP:

Chemical formula:

C9 H9 I2 N O3

InChI:

InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1

InChIKey:

NYPYHUZRZVSYKL-ZETCQYMHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1c(cc(c(c1I)O)I)CC(C(=O)O)N
CACTVS 3.341	N[CH](Cc1cc(I)c(O)c(I)c1)C(O)=O
CACTVS 3.341	N[C@@H](Cc1cc(I)c(O)c(I)c1)C(O)=O
ACDLabs 10.04	Ic1cc(cc(I)c1O)CC(C(=O)O)N
OpenEye OEToolkits 1.5.0	c1c(cc(c(c1I)O)I)C[C@@H](C(=O)O)N

Name:

3,5-DIIODOTYROSINE

ChEMBL:

CHEMBL1236469

DrugBank:

DB03374

ZINC:

ZINC000003861723

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).