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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

BioLiP

PDB CCD ID: T4A
Number of entries in BioLiP: 7
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:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(=O)O
CACTVS 3.341OC(=O)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1
ACDLabs 10.04Ic2cc(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, Peter L 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).
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