Structure of PDB 6imy Chain A Binding Site BS01

Receptor Information
>6imy 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 IDAJU
InChIInChI=1S/C17H24O8/c18-17(19)14-1-2-15-16(13-14)25-12-10-23-8-6-21-4-3-20-5-7-22-9-11-24-15/h1-2,13H,3-12H2,(H,18,19)
InChIKeyGFQYJVLOPVAPGJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)c1ccc2OCCOCCOCCOCCOCCOc2c1
ACDLabs 12.01O=C(O)c1ccc2c(c1)OCCOCCOCCOCCOCCO2
OpenEye OEToolkits 2.0.6c1cc2c(cc1C(=O)O)OCCOCCOCCOCCOCCO2
FormulaC17 H24 O8
Name2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine-18-carboxylic acid;
4'-Carboxybenzo-18-crown 6-Ether
ChEMBLCHEMBL1354221
DrugBank
ZINCZINC000003896121
PDB chain6imy 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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PDB6imy Crown Ethers as Transthyretin Amyloidogenesis Inhibitors.
Resolution1.501 Å
Binding residue
(original residue number in PDB)		I26 N27 A81
Binding residue
(residue number reindexed from 1)		I17 N18 A72
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6imy, PDBe:6imy, PDBj:6imy
PDBsum6imy
PubMed30688456
UniProtP02766|TTHY_HUMAN Transthyretin (Gene Name=TTR)

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