Structure of PDB 7erh Chain A Binding Site BS01

Receptor Information
>7erh 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]
CPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLT
TEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAA
LLSPYSYSTTAVVTN
Ligand information
Ligand IDB1T
InChIInChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H
InChIKeyJFIOVJDNOJYLKP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c(cc(c(c1Sc2cc(cc(c2O)Cl)Cl)O)Cl)Cl
ACDLabs 10.04Clc2cc(Cl)cc(Sc1cc(Cl)cc(Cl)c1O)c2O
CACTVS 3.341Oc1c(Cl)cc(Cl)cc1Sc2cc(Cl)cc(Cl)c2O
FormulaC12 H6 Cl4 O2 S
Name2,2'-sulfanediylbis(4,6-dichlorophenol)
ChEMBLCHEMBL290106
DrugBankDB04813
ZINCZINC000000608213
PDB chain7erh 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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PDB7erh Repositioning of the Anthelmintic Drugs Bithionol and Triclabendazole as Transthyretin Amyloidogenesis Inhibitors.
Resolution1.55 Å
Binding residue
(original residue number in PDB)		K15 T106 A108 V121
Binding residue
(residue number reindexed from 1)		K6 T97 A99 V112
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7erh, PDBe:7erh, PDBj:7erh
PDBsum7erh
PubMed34547896
UniProtP02766|TTHY_HUMAN Transthyretin (Gene Name=TTR)

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