Structure of PDB 8wgt Chain B Binding Site BS01

Receptor Information
>8wgt Chain B (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 B 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 A108 L110
Binding residue
(residue number reindexed from 1)		K6 A99 L101
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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