Structure of PDB 8wgu Chain A Binding Site BS01

Receptor Information
>8wgu 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 IDWH0
InChIInChI=1S/C17H10F2I2O3/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
InChIKeyFBPUWOHFAQANOC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCc1c(c2c(ccc(c2o1)F)F)C(=O)c3cc(c(c(c3)I)O)I
CACTVS 3.385CCc1oc2c(F)ccc(F)c2c1C(=O)c3cc(I)c(O)c(I)c3
FormulaC17 H10 F2 I2 O3
Name[3,5-bis(iodanyl)-4-oxidanyl-phenyl]-[2-ethyl-4,7-bis(fluoranyl)-1-benzofuran-3-yl]methanone
ChEMBL
DrugBank
ZINC
PDB chain8wgu 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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PDB8wgu Development of Benziodarone Analogues with Enhanced Potency for Selective Binding to Transthyretin in Human Plasma.
Resolution1.508 Å
Binding residue
(original residue number in PDB)		K15 A108 A109 S117
Binding residue
(residue number reindexed from 1)		K6 A99 A100 S108
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8wgu, PDBe:8wgu, PDBj:8wgu
PDBsum8wgu
PubMed38670538
UniProtP02766|TTHY_HUMAN Transthyretin (Gene Name=TTR)

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