Structure of PDB 1bm7 Chain B Binding Site BS01

Receptor Information
>1bm7 Chain B (length=114) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLT
TEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAA
LLSPYSYSTTAVVT
Ligand information
Ligand IDFLF
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)
InChIKeyLPEPZBJOKDYZAD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(c(c1)C(=O)O)Nc2cccc(c2)C(F)(F)F
CACTVS 3.341OC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F
ACDLabs 10.04FC(F)(F)c1cc(ccc1)Nc2ccccc2C(=O)O
FormulaC14 H10 F3 N O2
Name2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID;
FLUFENAMIC ACID
ChEMBLCHEMBL23588
DrugBankDB02266
ZINCZINC000000086535
PDB chain1bm7 Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1bm7 Inhibiting transthyretin conformational changes that lead to amyloid fibril formation.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		K15 A108 S117 T119
Binding residue
(residue number reindexed from 1)		K6 A99 S108 T110
Annotation score1
Binding affinityMOAD: Kd=30nM
PDBbind-CN: -logKd/Ki=7.52,Kd=30nM
BindingDB: IC50=2900nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005179 hormone activity
GO:0005515 protein binding
GO:0042802 identical protein binding
GO:0070324 thyroid hormone binding
Biological Process
GO:0006144 purine nucleobase metabolic process
GO:0007165 signal transduction
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005737 cytoplasm
GO:0035578 azurophil granule lumen
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1bm7, PDBe:1bm7, PDBj:1bm7
PDBsum1bm7
PubMed9789022
UniProtP02766|TTHY_HUMAN Transthyretin (Gene Name=TTR)

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