Structure of PDB 8ii1 Chain A Binding Site BS01

Receptor Information
>8ii1 Chain A (length=115) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CPLMVKVLDAVRGSPAINVAMHVFRKAADDTWEPFASGKTSESGELHGLT
TEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAA
LLSPYSYSTTAVVTN
Ligand information
Ligand IDPJO
InChIInChI=1S/C17H12I2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3
InChIKeyCZCHIEJNWPNBDE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)I)O)I
CACTVS 3.385CCc1oc2ccccc2c1C(=O)c3cc(I)c(O)c(I)c3
FormulaC17 H12 I2 O3
NameBenziodarone;
Amplivix;
Dilafurane
ChEMBLCHEMBL232201
DrugBankDB13277
ZINCZINC000003875456
PDB chain8ii1 Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8ii1 Benziodarone and 6-hydroxybenziodarone are potent and selective inhibitors of transthyretin amyloidogenesis.
Resolution1.907 Å
Binding residue
(original residue number in PDB)		K15 A108 L110 S117 T118 T119
Binding residue
(residue number reindexed from 1)		K6 A99 L101 S108 T109 T110
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8ii1, PDBe:8ii1, PDBj:8ii1
PDBsum8ii1
PubMed37311373
UniProtP02766|TTHY_HUMAN Transthyretin (Gene Name=TTR)

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