Structure of PDB 8ii3 Chain A Binding Site BS01

Receptor Information
>8ii3 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 IDPKK
InChIInChI=1S/C17H12I2O4/c1-2-13-15(10-4-3-9(20)7-14(10)23-13)16(21)8-5-11(18)17(22)12(19)6-8/h3-7,20,22H,2H2,1H3
InChIKeyYOSYHCQGAMQBMM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCc1oc2cc(O)ccc2c1C(=O)c3cc(I)c(O)c(I)c3
OpenEye OEToolkits 2.0.7CCc1c(c2ccc(cc2o1)O)C(=O)c3cc(c(c(c3)I)O)I
FormulaC17 H12 I2 O4
Name[3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-6-oxidanyl-1-benzofuran-3-yl)methanone
ChEMBL
DrugBank
ZINC
PDB chain8ii3 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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PDB8ii3 Benziodarone and 6-hydroxybenziodarone are potent and selective inhibitors of transthyretin amyloidogenesis.
Resolution1.399 Å
Binding residue
(original residue number in PDB)		K15 L17 A108 A109
Binding residue
(residue number reindexed from 1)		K6 L8 A99 A100
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8ii3, PDBe:8ii3, PDBj:8ii3
PDBsum8ii3
PubMed37311373
UniProtP02766|TTHY_HUMAN Transthyretin (Gene Name=TTR)

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