Structure of PDB 8wgt Chain A Binding Site BS01

Receptor Information
>8wgt 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 IDWGJ
InChIInChI=1S/C17H10Cl2I2O3/c1-2-12-14(13-8(18)3-4-9(19)17(13)24-12)15(22)7-5-10(20)16(23)11(21)6-7/h3-6,23H,2H2,1H3
InChIKeyIRLOWOFOTVYBRR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCc1oc2c(Cl)ccc(Cl)c2c1C(=O)c3cc(I)c(O)c(I)c3
OpenEye OEToolkits 2.0.7CCc1c(c2c(ccc(c2o1)Cl)Cl)C(=O)c3cc(c(c(c3)I)O)I
FormulaC17 H10 Cl2 I2 O3
Name[4,7-bis(chloranyl)-2-ethyl-1-benzofuran-3-yl]-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]methanone
ChEMBL
DrugBank
ZINC
PDB chain8wgt 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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PDB8wgt Development of Benziodarone Analogues with Enhanced Potency for Selective Binding to Transthyretin in Human Plasma.
Resolution1.696 Å
Binding residue
(original residue number in PDB)		K15 L17 A108 A109 S117 T118
Binding residue
(residue number reindexed from 1)		K6 L8 A99 A100 S108 T109
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8wgt, PDBe:8wgt, PDBj:8wgt
PDBsum8wgt
PubMed38670538
UniProtP02766|TTHY_HUMAN Transthyretin (Gene Name=TTR)

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