Structure of PDB 6r66 Chain B Binding Site BS01

Receptor Information
>6r66 Chain B (length=116) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLT
TEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAA
LLSPYSYSTTAVVTNP
Ligand information
Ligand IDJTN
InChIInChI=1S/C16H11Cl2FO2/c17-11-5-9(6-12(18)8-11)13-2-1-10(7-14(13)19)16(3-4-16)15(20)21/h1-2,5-8H,3-4H2,(H,20,21)
InChIKeyDFJGLZRYGZSQOR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c(cc1C2(CC2)C(=O)O)F)c3cc(cc(c3)Cl)Cl
CACTVS 3.385OC(=O)C1(CC1)c2ccc(c(F)c2)c3cc(Cl)cc(Cl)c3
FormulaC16 H11 Cl2 F O2
Name1-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid
ChEMBL
DrugBank
ZINC
PDB chain6r66 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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PDB6r66 Structure-activity relationships of flurbiprofen analogues as stabilizers of the amyloidogenic protein transthyretin.
Resolution1.3 Å
Binding residue
(original residue number in PDB)		K15 L110 S117
Binding residue
(residue number reindexed from 1)		K6 L101 S108
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6r66, PDBe:6r66, PDBj:6r66
PDBsum6r66
PubMed31473362
UniProtP02766|TTHY_HUMAN Transthyretin (Gene Name=TTR)

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